gebpy 1.1.3__py3-none-any.whl

modules/carbonates.py

@@ -0,0 +1,2658 @@
+#!/usr/bin/env python
+# -*-coding: utf-8 -*-
+
+#-----------------------------------------------
+
+# Name:		carbonates.py
+# Author:	Maximilian A. Beeskow
+# Version:	1.0
+# Date:		10.12.2024
+
+#-----------------------------------------------
+
+## MODULES
+import numpy as np
+from numpy import round
+from random import *
+import random as rd
+from modules import minerals
+from modules import fluids
+from modules.geophysics import Elasticity as elast
+from modules.chemistry import PeriodicSystem, OxideCompounds
+from modules.minerals import CrystalPhysics
+from modules.geophysics import WellLog as wg
+from modules.geochemistry import MineralChemistry
+from modules.minerals import Organics
+from modules.oxides import Oxides
+from modules.silicates import Tectosilicates, Phyllosilicates
+from modules.sulfides import Sulfides
+from modules.pyllosilicates import Pyllosilicates
+from modules.sulfates import Sulfates
+from modules.fluids import Water
+from modules.petrophysics import SeismicVelocities
+
+## CLASSES
+class CarbonateRocks:
+    #
+    def __init__(self, fluid="water", actualThickness=100):
+        self.fluid = fluid
+        self.actualThickness = actualThickness
+        #
+        self.data_calcite = Carbonates(impurity="pure", data_type=True).create_calcite()
+        self.data_aragonite = Carbonates(impurity="pure", data_type=True).create_aragonite()
+        self.data_dolomite = Carbonates(impurity="pure", data_type=True).create_dolomite()
+        self.data_siderite = Carbonates(impurity="pure", data_type=True).create_siderite()
+        self.data_magnesite = Carbonates(impurity="pure", data_type=True).create_magnesite()
+        self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
+        self.data_hematite = Oxides(impurity="pure", data_type=True).create_hematite()
+        self.data_kaolinite = Phyllosilicates(impurity="pure", data_type=True).create_kaolinite()
+        self.data_pyrite = Sulfides(impurity="pure", data_type=True).create_pyrite()
+        #
+        self.data_water = Water.water("")
+
+    def create_limestone(self, number=1, composition=None, porosity=None):
+        data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
+        data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
+        data_illite = Phyllosilicates(impurity="pure", data_type=True).create_illite()
+        #
+        mineralogy = {"Cal": self.data_calcite, "Dol": self.data_dolomite, "Qz": self.data_quartz,
+                      "Kfs": data_alkalifeldspar, "Pl": data_plagioclase, "Kln": self.data_kaolinite,
+                      "Ilt": data_illite, "Py": self.data_pyrite}
+        #
+        amounts_mineralogy = {}
+        amounts_chemistry = {}
+        amounts_compounds = {}
+        bulk_properties = {}
+        properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
+        for property in properties:
+            bulk_properties[property] = []
+        mineral_list = []
+        elements = []
+        for mineral, dataset in mineralogy.items():
+            amounts_mineralogy[dataset["mineral"]] = []
+            mineral_list.append(dataset["mineral"])
+            elements_mineral = list(dataset["chemistry"].keys())
+            for element in elements_mineral:
+                if element not in elements:
+                    elements.append(element)
+                    amounts_chemistry[element] = []
+        mineral_list.sort()
+        elements.sort()
+        #
+        n = 0
+        while n < number:
+            condition = False
+            while condition == False:
+                elements_list = []
+                phi_minerals = {}
+                w_minerals = {}
+                w_elements = {}
+                #
+                if composition != None:
+                    phi_cal = composition["Cal"]
+                    phi_dol = composition["Dol"]
+                    phi_qz = composition["Qz"]
+                    phi_kfs = composition["Kfs"]
+                    phi_pl = composition["Pl"]
+                    phi_kln = composition["Kln"]
+                    phi_ilt = composition["Ilt"]
+                    phi_py = composition["Py"]
+                    #
+                    phi_minerals["Cal"] = phi_cal
+                    phi_minerals["Dol"] = phi_dol
+                    phi_minerals["Qz"] = phi_qz
+                    phi_minerals["Kfs"] = phi_kfs
+                    phi_minerals["Pl"] = phi_pl
+                    phi_minerals["Kln"] = phi_kln
+                    phi_minerals["Ilt"] = phi_ilt
+                    phi_minerals["Py"] = phi_py
+                    #
+                else:
+                    condition_2 = False
+                    while condition_2 == False:
+                        magicnumber = rd.randint(0, 12)
+                        if 0 <= magicnumber <= 8:   # Carbonate-dominated
+                            w_carb = round(rd.uniform(0.95, 1.0), 4)
+                            w_clast = round(rd.uniform(0.0, (1.0 - w_carb)), 4)
+                            w_clay = round(rd.uniform(0.0, (1.0 - w_carb - w_clast)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_cal = round(w_carb*rd.uniform(0.975, 1.0), 4)
+                            phi_dol = round(w_carb - phi_cal, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.0, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                            #
+                        elif magicnumber in [9, 10]:   # Clastic-dominated
+                            w_clast = round(rd.uniform(0.05, 0.10), 4)
+                            w_carb = round(rd.uniform(0.90, (1.0 - w_clast)), 4)
+                            w_clay = round(rd.uniform(0.0, (1.0 - w_carb - w_clast)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.0, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            phi_cal = round(w_carb*rd.uniform(0.975, 1.0), 4)
+                            phi_dol = round(w_carb - phi_cal, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                            #
+                        elif magicnumber in [11, 12]:   # Clay-dominated
+                            w_clay = round(rd.uniform(0.05, 0.10), 4)
+                            w_carb = round(rd.uniform(0.90, (1.0 - w_clay)), 4)
+                            w_clast = round(rd.uniform(0.0, (1.0 - w_carb - w_clay)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_cal = round(w_carb*rd.uniform(0.975, 1.0), 4)
+                            phi_dol = round(w_carb - phi_cal, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.0, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                        #
+                        if np.isclose(phi_total, 1.0000) == True:
+                            if 0.9 <= phi_cal <= 1.0 and 0.0 <= phi_dol <= 0.2 and 0.0 <= phi_qz <= 0.3 \
+                                    and 0.0 <= phi_kfs <= 0.2 and 0.0 <= phi_pl <= 0.2 \
+                                    and 0.0 <= phi_kln <= 0.3 and 0.0 <= phi_ilt <= 0.3 and 0.0 <= phi_py <= 0.05:
+                                condition_2 = True
+                        #
+                    phi_minerals["Cal"] = abs(phi_cal)
+                    phi_minerals["Dol"] = abs(phi_dol)
+                    phi_minerals["Qz"] = abs(phi_qz)
+                    phi_minerals["Kfs"] = abs(phi_kfs)
+                    phi_minerals["Pl"] = abs(phi_pl)
+                    phi_minerals["Kln"] = abs(phi_kln)
+                    phi_minerals["Ilt"] = abs(phi_ilt)
+                    phi_minerals["Py"] = abs(phi_py)
+                #
+                rho_s = 0
+                velocity_solid = {"vP": 0, "vS": 0}
+                gamma_ray = 0.0
+                photoelectricity = 0.0
+                for key, value in phi_minerals.items():
+                    rho_s += value*mineralogy[key]["rho"]
+                    velocity_solid["vP"] += value*mineralogy[key]["vP"]
+                    velocity_solid["vS"] += value*mineralogy[key]["vS"]
+                    gamma_ray += value*mineralogy[key]["GR"]
+                    photoelectricity += value*mineralogy[key]["PE"]
+                    #
+                    for element, value in mineralogy[key]["chemistry"].items():
+                        if element not in elements_list:
+                            elements_list.append(element)
+                            w_elements[element] = 0.0
+                #
+                rho_s = round(rho_s, 3)
+                #
+                for key, value in phi_minerals.items():
+                    w_result = round((phi_minerals[key] * mineralogy[key]["rho"]) / rho_s, 4)
+                    w_minerals[key] = w_result
+                #
+                old_index = elements_list.index("O")
+                elements_list += [elements_list.pop(old_index)]
+                #
+                w_elements_total = 0.0
+                for element in elements_list:
+                    if element != "O":
+                        for mineral, w_mineral in w_minerals.items():
+                            if element in mineralogy[mineral]["chemistry"]:
+                                value = round(w_mineral * mineralogy[mineral]["chemistry"][element], 4)
+                                w_elements[element] += value
+                                w_elements_total += value
+                                #
+                                w_elements[element] = round(w_elements[element], 4)
+                    elif element == "O":
+                        w_elements[element] += round(1 - w_elements_total, 4)
+                        #
+                        w_elements[element] = round(w_elements[element], 4)
+                #
+                if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
+                    #
+                    condition = True
+                #
+                ## Bulk Density, Porosity, Seismic Velocities
+                rho_solid = round(rho_s, 3)
+                vP, vS, vPvS, rho, var_porosity = SeismicVelocities(
+                    rho_solid=rho_solid, rho_fluid=self.data_water[2]).calculate_seismic_velocities(
+                    rho_limits=[1800, 2800], vP_limits=[3500, 6500], vS_limits=[2000, 3500], delta=0.05,
+                    porosity=porosity)
+                ## Elastic Parameters
+                bulk_modulus, shear_modulus, youngs_modulus, poisson_ratio = SeismicVelocities(
+                    rho_solid=None, rho_fluid=None).calculate_elastic_properties(
+                    rho=rho, vP=vP, vS=vS)
+                ## Gamma Ray
+                gamma_ray = round(gamma_ray, 3)
+                ## Photoelectricity
+                photoelectricity = round(photoelectricity, 3)
+
+            for mineral, value in w_minerals.items():
+                amounts_mineralogy[mineral].append(float(value))
+            for element, value in w_elements.items():
+                amounts_chemistry[element].append(float(value))
+
+            bulk_properties["rho_s"].append(float(rho_solid))
+            bulk_properties["rho"].append(float(rho))
+            bulk_properties["phi"].append(float(var_porosity))
+            bulk_properties["K"].append(float(bulk_modulus))
+            bulk_properties["G"].append(float(shear_modulus))
+            bulk_properties["E"].append(float(youngs_modulus))
+            bulk_properties["nu"].append(float(poisson_ratio))
+            bulk_properties["vP"].append(float(vP))
+            bulk_properties["vS"].append(float(vS))
+            bulk_properties["vPvS"].append(float(vPvS))
+            bulk_properties["GR"].append(float(gamma_ray))
+            bulk_properties["PE"].append(float(photoelectricity))
+
+            amounts = []
+            for key, value in w_elements.items():
+                amounts_chemistry[key].append(value)
+                chem_data = PeriodicSystem(name=key).get_data()
+                amounts.append([key, chem_data[1], value])
+
+            list_oxides = ["H2O", "CO2", "Na2O", "MgO", "Al2O3", "SiO2", "SO3", "K2O", "CaO", "Fe2O3"]
+            composition_oxides = {}
+            for var_oxide in list_oxides:
+                oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
+                composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
+
+            if list_oxides[0] not in amounts_compounds:
+                for oxide in list_oxides:
+                    amounts_compounds[oxide] = []
+
+            for key, value in composition_oxides.items():
+                amounts_compounds[key].append(value)
+
+            n += 1
+        amounts_mineralogy = dict(sorted(
+            amounts_mineralogy.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+        amounts_chemistry = dict(sorted(
+            amounts_chemistry.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+        amounts_compounds = dict(sorted(
+            amounts_compounds.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+
+        ## EXPORT DATA
+        #
+        results = {}
+        results["rock"] = "Limestone"
+        if number > 1:
+            results["mineralogy"] = amounts_mineralogy
+            results["chemistry"] = amounts_chemistry
+            results["compounds"] = amounts_compounds
+            results["phi"] = bulk_properties["phi"]
+            results["fluid"] = "water"
+            results["rho_s"] = bulk_properties["rho_s"]
+            results["rho"] = bulk_properties["rho"]
+            results["vP"] = bulk_properties["vP"]
+            results["vS"] = bulk_properties["vS"]
+            results["vP/vS"] = bulk_properties["vPvS"]
+            results["K"] = bulk_properties["K"]
+            results["G"] = bulk_properties["G"]
+            results["E"] = bulk_properties["E"]
+            results["nu"] = bulk_properties["nu"]
+            results["GR"] = bulk_properties["GR"]
+            results["PE"] = bulk_properties["PE"]
+        else:
+            single_amounts_mineralogy = {}
+            single_amounts_chemistry = {}
+            single_amounts_compounds = {}
+            for mineral, value in w_minerals.items():
+                single_amounts_mineralogy[mineral] = float(value)
+            for element, value in w_elements.items():
+                single_amounts_chemistry[element] = float(value)
+            for compound, value in amounts_compounds.items():
+                single_amounts_compounds[compound] = value[0]
+            results["mineralogy"] = single_amounts_mineralogy
+            results["chemistry"] = single_amounts_chemistry
+            results["compounds"] = single_amounts_compounds
+            results["phi"] = float(var_porosity)
+            results["fluid"] = "water"
+            results["rho_s"] = float(rho_solid)
+            results["rho"] = float(rho)
+            results["vP"] = float(vP)
+            results["vS"] = float(vS)
+            results["vP/vS"] = float(vPvS)
+            results["K"] = float(bulk_modulus)
+            results["G"] = float(shear_modulus)
+            results["E"] = float(youngs_modulus)
+            results["nu"] = float(poisson_ratio)
+            results["GR"] = float(gamma_ray)
+            results["PE"] = float(photoelectricity)
+        #
+        return results
+    #
+    def create_dolostone(self, number=1, composition=None, porosity=None):
+        data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
+        data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
+        data_illite = Phyllosilicates(impurity="pure", data_type=True).create_illite()
+        #
+        mineralogy = {"Cal": self.data_calcite, "Dol": self.data_dolomite, "Qz": self.data_quartz,
+                      "Kfs": data_alkalifeldspar, "Pl": data_plagioclase, "Kln": self.data_kaolinite,
+                      "Ilt": data_illite, "Py": self.data_pyrite}
+        #
+        amounts_mineralogy = {}
+        amounts_chemistry = {}
+        amounts_compounds = {}
+        bulk_properties = {}
+        properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
+        for property in properties:
+            bulk_properties[property] = []
+        mineral_list = []
+        elements = []
+        for mineral, dataset in mineralogy.items():
+            amounts_mineralogy[dataset["mineral"]] = []
+            mineral_list.append(dataset["mineral"])
+            elements_mineral = list(dataset["chemistry"].keys())
+            for element in elements_mineral:
+                if element not in elements:
+                    elements.append(element)
+                    amounts_chemistry[element] = []
+        mineral_list.sort()
+        elements.sort()
+        #
+        n = 0
+        while n < number:
+            condition = False
+            while condition == False:
+                elements_list = []
+                phi_minerals = {}
+                w_minerals = {}
+                w_elements = {}
+                #
+                if composition != None:
+                    phi_cal = composition["Cal"]
+                    phi_dol = composition["Dol"]
+                    phi_qz = composition["Qz"]
+                    phi_kfs = composition["Kfs"]
+                    phi_pl = composition["Pl"]
+                    phi_kln = composition["Kln"]
+                    phi_ilt = composition["Ilt"]
+                    phi_py = composition["Py"]
+                    #
+                    phi_minerals["Cal"] = phi_cal
+                    phi_minerals["Dol"] = phi_dol
+                    phi_minerals["Qz"] = phi_qz
+                    phi_minerals["Kfs"] = phi_kfs
+                    phi_minerals["Pl"] = phi_pl
+                    phi_minerals["Kln"] = phi_kln
+                    phi_minerals["Ilt"] = phi_ilt
+                    phi_minerals["Py"] = phi_py
+                    #
+                else:
+                    condition_2 = False
+                    while condition_2 == False:
+                        magicnumber = rd.randint(0, 12)
+                        if 0 <= magicnumber <= 8:  # Carbonate-dominated
+                            w_carb = round(rd.uniform(0.8, 1.0), 4)
+                            w_clast = round(rd.uniform(0.0, (1.0 - w_carb)), 4)
+                            w_clay = round(rd.uniform(0.0, (1.0 - w_carb - w_clast)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_dol = round(w_carb*rd.uniform(0.9, 1.0), 4)
+                            phi_cal = round(w_carb - phi_dol, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.8, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                            #
+                        elif magicnumber in [9, 10]:  # Clastic-dominated
+                            w_clast = round(rd.uniform(0.15, 0.3), 4)
+                            w_carb = round(rd.uniform(0.7, (1.0 - w_clast)), 4)
+                            w_clay = round(rd.uniform(0.0, (1.0 - w_carb - w_clast)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.8, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            phi_dol = round(w_carb*rd.uniform(0.9, 1.0), 4)
+                            phi_cal = round(w_carb - phi_dol, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                            #
+                        elif magicnumber in [11, 12]:  # Clay-dominated
+                            w_clay = round(rd.uniform(0.15, 0.3), 4)
+                            w_carb = round(rd.uniform(0.7, (1.0 - w_clay)), 4)
+                            w_clast = round(rd.uniform(0.0, (1.0 - w_carb - w_clay)), 4)
+                            w_sulf = round(1 - w_carb - w_clast - w_clay, 4)
+                            #
+                            phi_dol = round(w_carb*rd.uniform(0.9, 1.0), 4)
+                            phi_cal = round(w_carb - phi_dol, 4)
+                            #
+                            phi_qz = round(w_clast*rd.uniform(0.8, 1.0), 4)
+                            phi_pl = round(w_clast*rd.uniform(0.0, (1.0 - phi_qz)), 4)
+                            phi_kfs = round(w_clast - phi_qz - phi_pl, 4)
+                            #
+                            magicnumber_2 = rd.randint(0, 1)
+                            if magicnumber_2 == 0:
+                                phi_kln = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_ilt = round(w_clay - phi_kln, 4)
+                            else:
+                                phi_ilt = round(w_clay*rd.uniform(0.9, 1.0), 4)
+                                phi_kln = round(w_clay - phi_ilt, 4)
+                            #
+                            phi_py = round(w_sulf, 4)
+                            #
+                            phi_total = phi_cal + phi_dol + phi_qz + phi_kfs + phi_pl + phi_kln + phi_ilt + phi_py
+                        #
+                        if np.isclose(phi_total, 1.0000) == True:
+                            if 0.8 <= phi_dol <= 1.0 and 0.0 <= phi_cal <= 0.2 and 0.0 <= phi_qz <= 0.3 \
+                                    and 0.0 <= phi_kfs <= 0.2 and 0.0 <= phi_pl <= 0.2 \
+                                    and 0.0 <= phi_kln <= 0.3 and 0.0 <= phi_ilt <= 0.3 and 0.0 <= phi_py <= 0.05:
+                                condition_2 = True
+                        #
+                    phi_minerals["Cal"] = abs(phi_cal)
+                    phi_minerals["Dol"] = abs(phi_dol)
+                    phi_minerals["Qz"] = abs(phi_qz)
+                    phi_minerals["Kfs"] = abs(phi_kfs)
+                    phi_minerals["Pl"] = abs(phi_pl)
+                    phi_minerals["Kln"] = abs(phi_kln)
+                    phi_minerals["Ilt"] = abs(phi_ilt)
+                    phi_minerals["Py"] = abs(phi_py)
+                #
+                rho_s = 0
+                for key, value in phi_minerals.items():
+                    rho_s += value*mineralogy[key]["rho"]
+                    for element, value in mineralogy[key]["chemistry"].items():
+                        if element not in elements_list:
+                            elements_list.append(element)
+                            w_elements[element] = 0.0
+                #
+                rho_s = round(rho_s, 3)
+                #
+                for key, value in phi_minerals.items():
+                    w_result = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, 4)
+                    w_minerals[key] = w_result
+                #
+                if porosity == None:
+                    phi_helper = round(rd.uniform(0.0, 0.4), 4)
+                else:
+                    phi_helper = round(rd.uniform(porosity[0], porosity[1]), 4)
+                #
+                #rho = round((1 - phi_helper)*rho_s + phi_helper*self.data_water[2], 3)
+                #
+                old_index = elements_list.index("O")
+                elements_list += [elements_list.pop(old_index)]
+                #
+                w_elements_total = 0.0
+                for element in elements_list:
+                    if element != "O":
+                        for mineral, w_mineral in w_minerals.items():
+                            if element in mineralogy[mineral]["chemistry"]:
+                                value = round(w_mineral*mineralogy[mineral]["chemistry"][element], 4)
+                                w_elements[element] += value
+                                w_elements_total += value
+                                #
+                                w_elements[element] = round(w_elements[element], 4)
+                    elif element == "O":
+                        w_elements[element] += round(1 - w_elements_total, 4)
+                        #
+                        w_elements[element] = round(w_elements[element], 4)
+                #
+                if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
+                    #
+                    condition = True
+                #
+                bulk_mod = 0.0
+                shear_mod = 0.0
+                gamma_ray = 0.0
+                photoelectricity = 0.0
+                for key, value in phi_minerals.items():
+                    bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
+                    shear_mod += phi_minerals[key]*mineralogy[key]["G"]
+                    gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
+                    photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
+                    #
+                    bulk_mod = round(bulk_mod, 3)
+                    shear_mod = round(shear_mod, 3)
+                    gamma_ray = round(gamma_ray, 3)
+                    photoelectricity = round(photoelectricity, 3)
+                #
+                ## Bulk Density, Porosity, Seismic Velocities
+                rho_solid = round(rho_s, 3)
+                vP, vS, vPvS, rho, var_porosity = SeismicVelocities(
+                    rho_solid=rho_solid, rho_fluid=self.data_water[2]).calculate_seismic_velocities(
+                    rho_limits=[2000, 2950], vP_limits=[3500, 7000], vS_limits=[2200, 3200], delta=0.05,
+                    porosity=porosity)
+                ## Elastic Parameters
+                bulk_modulus, shear_modulus, youngs_modulus, poisson_ratio = SeismicVelocities(
+                    rho_solid=None, rho_fluid=None).calculate_elastic_properties(
+                    rho=rho, vP=vP, vS=vS)
+            #
+            for mineral, value in w_minerals.items():
+                amounts_mineralogy[mineral].append(value)
+            for element, value in w_elements.items():
+                amounts_chemistry[element].append(value)
+            #
+            bulk_properties["rho_s"].append(rho_solid)
+            bulk_properties["rho"].append(rho)
+            bulk_properties["phi"].append(var_porosity)
+            bulk_properties["K"].append(bulk_modulus)
+            bulk_properties["G"].append(shear_modulus)
+            bulk_properties["E"].append(youngs_modulus)
+            bulk_properties["nu"].append(poisson_ratio)
+            bulk_properties["vP"].append(vP)
+            bulk_properties["vS"].append(vS)
+            bulk_properties["vPvS"].append(vPvS)
+            bulk_properties["GR"].append(gamma_ray)
+            bulk_properties["PE"].append(photoelectricity)
+
+            amounts = []
+            for key, value in w_elements.items():
+                amounts_chemistry[key].append(value)
+                chem_data = PeriodicSystem(name=key).get_data()
+                amounts.append([key, chem_data[1], value])
+
+            list_oxides = ["H2O", "CO2", "Na2O", "MgO", "Al2O3", "SiO2", "SO3", "K2O", "CaO", "Fe2O3"]
+            composition_oxides = {}
+            for var_oxide in list_oxides:
+                oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
+                composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
+
+            if list_oxides[0] not in amounts_compounds:
+                for oxide in list_oxides:
+                    amounts_compounds[oxide] = []
+
+            for key, value in composition_oxides.items():
+                amounts_compounds[key].append(value)
+
+            n += 1
+
+        amounts_mineralogy = dict(sorted(
+            amounts_mineralogy.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+        amounts_chemistry = dict(sorted(
+            amounts_chemistry.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+        amounts_compounds = dict(sorted(
+            amounts_compounds.items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+
+        ## EXPORT DATA
+        results = {}
+        results["rock"] = "Dolostone"
+        if number > 1:
+            results["mineralogy"] = amounts_mineralogy
+            results["chemistry"] = amounts_chemistry
+            results["compounds"] = amounts_compounds
+            results["phi"] = bulk_properties["phi"]
+            results["fluid"] = "water"
+            results["rho_s"] = bulk_properties["rho_s"]
+            results["rho"] = bulk_properties["rho"]
+            results["vP"] = bulk_properties["vP"]
+            results["vS"] = bulk_properties["vS"]
+            results["vP/vS"] = bulk_properties["vPvS"]
+            results["K"] = bulk_properties["K"]
+            results["G"] = bulk_properties["G"]
+            results["E"] = bulk_properties["E"]
+            results["nu"] = bulk_properties["nu"]
+            results["GR"] = bulk_properties["GR"]
+            results["PE"] = bulk_properties["PE"]
+        else:
+            single_amounts_mineralogy = {}
+            single_amounts_chemistry = {}
+            single_amounts_compounds = {}
+            for mineral, value in w_minerals.items():
+                single_amounts_mineralogy[mineral] = value
+            for element, value in w_elements.items():
+                single_amounts_chemistry[element] = value
+            for compound, value in amounts_compounds.items():
+                single_amounts_compounds[compound] = value[0]
+            results["mineralogy"] = single_amounts_mineralogy
+            results["chemistry"] = single_amounts_chemistry
+            results["compounds"] = single_amounts_compounds
+            results["phi"] = var_porosity
+            results["fluid"] = "water"
+            results["rho_s"] = rho_solid
+            results["rho"] = rho
+            results["vP"] = vP
+            results["vS"] = vS
+            results["vP/vS"] = vPvS
+            results["K"] = bulk_modulus
+            results["G"] = shear_modulus
+            results["E"] = youngs_modulus
+            results["nu"] = poisson_ratio
+            results["GR"] = gamma_ray
+            results["PE"] = photoelectricity
+        #
+        return results
+
+    def create_marl(self, rock="Marl", number=1, composition=None, classification="Marl", porosity=None):
+        #
+        results_container = {}
+        results_container["rock"] = rock
+        results_container["mineralogy"] = {}
+        results_container["chemistry"] = {}
+        results_container["compounds"] = {}
+        results_container["phi"] = []
+        results_container["fluid"] = self.fluid
+        results_container["rho_s"] = []
+        results_container["rho"] = []
+        results_container["vP"] = []
+        results_container["vS"] = []
+        results_container["vP/vS"] = []
+        results_container["K"] = []
+        results_container["G"] = []
+        results_container["E"] = []
+        results_container["nu"] = []
+        results_container["GR"] = []
+        results_container["PE"] = []
+        #
+        n = 0
+        while n < number:
+            data_illite = Phyllosilicates(impurity="pure", data_type=True).create_illite()
+            data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
+            #
+            mineralogy = {"Cal": self.data_calcite, "Ilt": data_illite, "Pl": data_plagioclase}
+            #
+            minerals_list = list(mineralogy.keys())
+            #
+            if minerals_list[0] not in results_container["mineralogy"]:
+                for mineral in minerals_list:
+                    results_container["mineralogy"][mineral] = []
+            #
+            condition = False
+            #
+            while condition == False:
+                elements_list = []
+                phi_minerals = {}
+                w_minerals = {}
+                w_elements = {}
+                #
+                if composition != None:
+                    phi_cal = composition["Cal"]
+                    phi_ilt = composition["Ilt"]
+                    phi_pl = composition["Pl"]
+                    #
+                    phi_minerals["Cal"] = phi_cal
+                    phi_minerals["Ilt"] = phi_ilt
+                    phi_minerals["Pl"] = phi_pl
+                    #
+                else:
+                    condition_2 = False
+                    while condition_2 == False:
+                        if classification == "Marl":
+                            cal_limits = [0.35, 0.65]
+                            ilt_limits = [0.35, 0.65]
+                            pl_limits = [0.0, 0.3]
+                        #
+                        phi_cal = round(rd.uniform(cal_limits[0], cal_limits[1]), 4)
+                        phi_ilt = round(rd.uniform(ilt_limits[0], (1 - phi_cal)), 4)
+                        phi_pl = round(1 - phi_cal - phi_ilt, 4)
+                        #
+                        phi_total = phi_cal + phi_ilt + phi_pl
+                        #
+                        if np.isclose(phi_total, 1.0000) == True:
+                            if cal_limits[0] <= phi_cal <= cal_limits[1] \
+                                    and ilt_limits[0] <= phi_ilt <= ilt_limits[1] \
+                                    and pl_limits[0] <= phi_pl <= pl_limits[1]:
+                                condition_2 = True
+                        #
+                    phi_minerals["Cal"] = phi_cal
+                    phi_minerals["Ilt"] = phi_ilt
+                    phi_minerals["Pl"] = phi_pl
+                #
+                rho_s = 0
+                for key, value in phi_minerals.items():
+                    rho_s += phi_minerals[key]*mineralogy[key]["rho"]
+                    #
+                    for element, value in mineralogy[key]["chemistry"].items():
+                        if element not in elements_list:
+                            elements_list.append(element)
+                            w_elements[element] = 0.0
+                #
+                if elements_list[0] not in results_container["chemistry"]:
+                    for element in elements_list:
+                        results_container["chemistry"][element] = []
+                #
+                rho_s = round(rho_s, 3)
+                for key, value in phi_minerals.items():
+                    if key == "Urn":
+                        n_digits = 4
+                    else:
+                        n_digits = 4
+                    #
+                    w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
+                #
+                if porosity == None:
+                    var_porosity = round(rd.uniform(0.0, 0.1), 4)
+                elif type(porosity) == float:
+                    var_porosity = porosity
+                else:
+                    var_porosity = round(rd.uniform(porosity[0], porosity[1]), 4)
+                #
+                if self.fluid == "water":
+                    data_fluid = self.data_water
+                #
+                old_index = elements_list.index("O")
+                elements_list += [elements_list.pop(old_index)]
+                #
+                w_elements_total = 0.0
+                for element in elements_list:
+                    if element != "O":
+                        for mineral, w_mineral in w_minerals.items():
+                            if element in mineralogy[mineral]["chemistry"]:
+                                if element == "U":
+                                    n_digits = 4
+                                else:
+                                    n_digits = 4
+                                #
+                                value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
+                                w_elements[element] += value
+                                w_elements_total += value
+                                #
+                                w_elements[element] = round(w_elements[element], n_digits)
+                    elif element == "O":
+                        w_elements[element] += round(1 - w_elements_total, 4)
+                        #
+                        w_elements[element] = round(w_elements[element], 4)
+                #
+                total_w_minerals = round(sum(w_minerals.values()), 4)
+                total_w_elements = round(sum(w_elements.values()), 4)
+                if total_w_minerals == 1.0 and total_w_elements == 1.0:
+                    for key, value in w_minerals.items():
+                        w_minerals[key] = abs(value)
+                    #
+                    for key, value in w_elements.items():
+                        w_elements[key] = abs(value)
+                    #
+                    condition = True
+            #
+            rho_solid = 0
+            velocity_solid = {"vP": 0, "vS": 0}
+            gamma_ray = 0.0
+            photoelectricity = 0.0
+            for key, value in phi_minerals.items():
+                rho_solid += phi_minerals[key]*mineralogy[key]["rho"]
+                velocity_solid["vP"] += phi_minerals[key]*mineralogy[key]["vP"]
+                velocity_solid["vS"] += phi_minerals[key]*mineralogy[key]["vS"]
+                gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
+                photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
+            #
+            ## Bulk Density, Porosity, Seismic Velocities
+            rho_solid = round(rho_s, 3)
+            vP, vS, vPvS, rho, var_porosity = SeismicVelocities(
+                rho_solid=rho_solid, rho_fluid=self.data_water[2]).calculate_seismic_velocities(
+                rho_limits=[2200, 2700], vP_limits=[1800, 3200], vS_limits=[1000, 2000], delta=0.05,
+                porosity=porosity)
+            ## Elastic Parameters
+            bulk_modulus, shear_modulus, youngs_modulus, poisson_ratio = SeismicVelocities(
+                rho_solid=None, rho_fluid=None).calculate_elastic_properties(
+                rho=rho, vP=vP, vS=vS)
+            ## Gamma Ray
+            gamma_ray = round(gamma_ray, 3)
+            ## Photoelectricity
+            photoelectricity = round(photoelectricity, 3)
+            # Composition data
+            for key, value in w_minerals.items():
+                results_container["mineralogy"][key].append(value)
+
+            amounts = []
+            for key, value in w_elements.items():
+                results_container["chemistry"][key].append(value)
+                chem_data = PeriodicSystem(name=key).get_data()
+                amounts.append([key, chem_data[1], value])
+
+            list_oxides = ["H2O", "CO2", "Na2O", "Al2O3", "SiO2", "K2O", "CaO"]
+            composition_oxides = {}
+            for var_oxide in list_oxides:
+                oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
+                composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
+
+            if list_oxides[0] not in results_container["compounds"]:
+                for oxide in list_oxides:
+                    results_container["compounds"][oxide] = []
+
+            for key, value in composition_oxides.items():
+                results_container["compounds"][key].append(value)
+
+            results_container["mineralogy"] = dict(sorted(
+                results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+            results_container["chemistry"] = dict(sorted(
+                results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+            results_container["compounds"] = dict(sorted(
+                results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
+
+            # Results
+            results_container["phi"].append(var_porosity)
+            results_container["rho_s"].append(rho_s)
+            results_container["rho"].append(rho)
+            results_container["vP"].append(vP)
+            results_container["vS"].append(vS)
+            results_container["vP/vS"].append(vPvS)
+            results_container["K"].append(bulk_modulus)
+            results_container["G"].append(shear_modulus)
+            results_container["E"].append(youngs_modulus)
+            results_container["nu"].append(poisson_ratio)
+            results_container["GR"].append(gamma_ray)
+            results_container["PE"].append(photoelectricity)
+            #
+            n += 1
+        #
+        return results_container
+
+# Carbonates
+class Carbonates:
+    """ Class that generates geophysical and geochemical data of carbonate minerals"""
+    #
+    def __init__(self, traces_list=[], impurity="pure", data_type=False, mineral=None):
+        self.traces_list = traces_list
+        self.impurity = impurity
+        self.data_type = data_type
+        self.mineral = mineral
+    #
+    def get_data(self, number=1):
+        if self.mineral in ["Cal", "Calcite"]:
+            if number > 1:
+                data = [self.create_calcite() for n in range(number)]
+            else:
+                data = self.create_calcite()
+        elif self.mineral in ["Dol", "Dolomite"]:
+            if number > 1:
+                data = [self.create_dolomite() for n in range(number)]
+            else:
+                data = self.create_dolomite()
+        elif self.mineral in ["Mgs", "Magnesite"]:
+            if number > 1:
+                data = [self.create_magnesite() for n in range(number)]
+            else:
+                data = self.create_magnesite()
+        elif self.mineral in ["Sd", "Siderite"]:
+            if number > 1:
+                data = [self.create_siderite() for n in range(number)]
+            else:
+                data = self.create_siderite()
+        elif self.mineral in ["Org", "Organic Matter"]:
+            if number > 1:
+                data = [self.create_organic_matter() for n in range(number)]
+            else:
+                data = self.create_organic_matter()
+        elif self.mineral in ["Rdc", "Rhodochrosite"]:
+            if number > 1:
+                data = [self.create_rhodochrosite() for n in range(number)]
+            else:
+                data = self.create_rhodochrosite()
+        elif self.mineral in ["Arg", "Aragonite"]:
+            if number > 1:
+                data = [self.create_aragonite() for n in range(number)]
+            else:
+                data = self.create_aragonite()
+        elif self.mineral in ["Cer", "Cerussite"]:
+            if number > 1:
+                data = [self.create_cerussite() for n in range(number)]
+            else:
+                data = self.create_cerussite()
+        elif self.mineral in ["Ank", "Ankerite"]:
+            if number > 1:
+                data = [self.create_ankerite() for n in range(number)]
+            else:
+                data = self.create_ankerite()
+        elif self.mineral in ["Az", "Azurite"]:
+            if number > 1:
+                data = [self.create_azurite() for n in range(number)]
+            else:
+                data = self.create_azurite()
+        elif self.mineral in ["Mal", "Malachite"]:
+            if number > 1:
+                data = [self.create_malachite() for n in range(number)]
+            else:
+                data = self.create_malachite()
+        #
+        return data
+    #
+    def generate_dataset(self, number):
+        dataset = {}
+        #
+        for index in range(number):
+            if self.mineral == "Calcite":
+                data_mineral = self.create_calcite()
+            elif self.mineral == "Dolomite":
+                data_mineral = self.create_dolomite()
+            elif self.mineral == "Magnesite":
+                data_mineral = self.create_magnesite()
+            elif self.mineral == "Siderite":
+                data_mineral = self.create_siderite()
+            elif self.mineral == "Rhodochrosite":
+                data_mineral = self.create_rhodochrosite()
+            elif self.mineral == "Aragonite":
+                data_mineral = self.create_aragonite()
+            elif self.mineral == "Cerrusite":
+                data_mineral = self.create_cerussite()
+            elif self.mineral == "Ankerite":
+                data_mineral = self.create_ankerite()
+            elif self.mineral == "Azurite":
+                data_mineral = self.create_azurite()
+            elif self.mineral == "Malachite":
+                data_mineral = self.create_malachite()
+            elif self.mineral == "Ikaite":
+                data_mineral = self.create_ikaite()
+            elif self.mineral == "Smithsonite":
+                data_mineral = self.create_smithsonite()
+            #
+            for key, value in data_mineral.items():
+                if key in ["M", "rho", "rho_e", "V", "vP", "vS", "vP/vS", "K", "G", "E", "nu", "GR", "PE", "U",
+                           "p"]:
+                    if key not in dataset:
+                        dataset[key] = [value]
+                    else:
+                        dataset[key].append(value)
+                elif key in ["mineral", "state", "trace elements"] and key not in dataset:
+                    dataset[key] = value
+                elif key in ["chemistry"]:
+                    if key not in dataset:
+                        dataset[key] = {}
+                        for key_2, value_2 in value.items():
+                            dataset[key][key_2] = [value_2]
+                    else:
+                        for key_2, value_2 in value.items():
+                            dataset[key][key_2].append(value_2)
+            #
+        return dataset
+    #
+    def create_calcite(self):   # CaCO3
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["C", "O", "Ca"]
+        majors_data = np.array([["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]],
+                                ["Ca", calcium[1], 1, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Mn", "Fe", "Zn", "Co", "Ba", "Sr", "Pb", "Mg", "Cu", "Al", "Ni", "V", "Cr", "Mo"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Cal"
+        #
+        # Molar mass
+        molar_mass_pure = calcium[2] + carbon[2] + 3*oxygen[2]
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                      majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.99, 17.06], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 6
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 76*10**9
+        # Shear modulus
+        G = 32*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = 2*10**12
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_dolomite(self):   # CaMg(CO3)2
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        magnesium = PeriodicSystem(name="Mg").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["C", "O", "Mg", "Ca"]
+        majors_data = np.array([["C", carbon[1], 2, carbon[2]], ["O", oxygen[1], 6, oxygen[2]],
+                                ["Mg", magnesium[1], 1, magnesium[2]], ["Ca", calcium[1], 1, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Fe", "Mn", "Co", "Pb", "Zn"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Dol"
+        #
+        # Molar mass
+        molar_mass_pure = calcium[2] + magnesium[2] + 2*(carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                      majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.81, 16.01], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 3
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 89*10**9
+        # Shear modulus
+        G = 44*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = 5*10**3
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_magnesite(self):   # Mg(CO3)
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        magnesium = PeriodicSystem(name="Mg").get_data()
+        majors_name = ["C", "O", "Mg"]
+        majors_data = np.array([["C", carbon[1], 2, carbon[2]], ["O", oxygen[1], 6, oxygen[2]],
+                                ["Mg", magnesium[1], 1, magnesium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Fe", "Mn", "Ca", "Co", "Ni"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        data = []
+        mineral = "Mgs"
+        #
+        # Molar mass
+        molar_mass_pure = magnesium[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                      majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.63, 15.03], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 6
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 105*10**9
+        # Shear modulus
+        G = 63*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_siderite(self):   # Fe(CO3)
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        iron = PeriodicSystem(name="Fe").get_data()
+        majors_name = ["C", "O", "Fe"]
+        majors_data = np.array([["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]],
+                                ["Fe", iron[1], 1, iron[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Mn", "Mg", "Ca", "Zn", "Co"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        mineral = "Sd"
+        #
+        # Molar mass
+        molar_mass_pure = iron[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.69, 15.38], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 6
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 124*10**9
+        # Shear modulus
+        G = 51*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = 70
+        #
+        if self.data_type == False:
+            data = []
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_organic_matter(self):
+        # CHEMISTRY
+        carbohydrates = Organics.carbohydrates("")
+        lignin = Organics.lignin("")
+        lipid = Organics.lipid("")
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        carbon = PeriodicSystem(name="C").get_data()
+        nitrogen = PeriodicSystem(name="N").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        sulfur = PeriodicSystem(name="S").get_data()
+        majors_name = ["H", "C", "N", "O", "S"]
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "variable"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = [None]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        mineral = "Org"
+        #
+        # Molar mass
+        condition = False
+        while condition == False:
+            w_ch = round(rd.uniform(0.4, 0.6), 4)
+            w_lg = round(rd.uniform(0.2, float(1-w_ch)), 4)
+            w_lp = round(1 - w_ch - w_lg, 4)
+            if w_ch+w_lg+w_lp == 1.0:
+                condition = True
+        molar_mass_pure = w_ch*(0.06*hydrogen[2] + 0.44*carbon[2] + 0.50*oxygen[2]) \
+                          + w_lg*(0.06*hydrogen[2] + 0.63*carbon[2] + 0.003*nitrogen[2] + 0.31*oxygen[2] + 0.001*sulfur[2]) \
+                          + w_lp*(0.10*hydrogen[2] + 0.80*carbon[2] + 0.10*oxygen[2])
+        #
+        majors_data = np.array([["H", hydrogen[1], w_ch*0.06*hydrogen[2] + w_lg*0.06*hydrogen[2] + w_lp*0.10*hydrogen[2], hydrogen[2]],
+                                ["C", carbon[1], w_ch*0.44*carbon[2] + w_lg*0.63*carbon[2] + w_lp*0.80*carbon[2], carbon[2]],
+                                ["N", nitrogen[1], w_lp*0.003*nitrogen[2], nitrogen[2]],
+                                ["O", oxygen[1], w_ch*0.50*oxygen[2] + w_lg*0.31*oxygen[2] + w_lp*0.10*oxygen[2], oxygen[2]],
+                                ["S", sulfur[1], w_lp*0.001*sulfur[2], sulfur[2]]], dtype=object)
+        #
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        rho = w_ch*carbohydrates[2] + w_lg*lignin[2] + w_lp*lipid[2]
+        # Bulk modulus
+        K = (w_ch*carbohydrates[3][0] + w_lg*lignin[3][0] + w_lp*lipid[3][0])*10**9
+        # Shear modulus
+        G = (w_ch*carbohydrates[3][1] + w_lg*lignin[3][1] + w_lp*lipid[3][1])*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        GR = 0
+        # Photoelectricity
+        PE = round(w_ch*carbohydrates[5][1] + w_lg*lignin[5][1] + w_lp*lipid[5][1], 3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(mineral)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(GR, 2), round(PE, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = mineral
+            results["state"] = var_state
+            results["M"] = round(molar_mass, 3)
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(GR, 4)
+            results["PE"] = round(PE, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_rhodochrosite(self):   # Mn(CO3)
+        #
+        name = "Rdc"
+        #
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        manganese = PeriodicSystem(name="Mn").get_data()
+        majors_name = ["C", "O", "Mn"]
+        majors_data = np.array([["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]],
+                                ["Mn", manganese[1], 1, manganese[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Fe", "Ca", "Mg", "Zn", "Co", "Cd"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = manganese[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.777, 15.67], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 6
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 99*10**9
+        # Shear modulus
+        G = 44*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_aragonite(self):   # Ca(CO3)
+        #
+        name = "Arg"
+        #
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["C", "O", "Ca"]
+        majors_data = np.array([["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]],
+                                ["Ca", calcium[1], 1, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Sr", "Pb", "Zn"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = calcium[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.959, 7.968, 5.741], [], "orthorhombic"])
+        V = dataV.calculate_volume()
+        Z = 4
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 69*10**9
+        # Shear modulus
+        G = 33*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_cerussite(self):   # Pb(CO3)
+        #
+        name = "Cer"
+        #
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        lead = PeriodicSystem(name="Pb").get_data()
+        majors_name = ["C", "O", "Pb"]
+        majors_data = np.array([["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]],
+                                ["Pb", lead[1], 1, lead[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = [None]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = lead[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[5.195, 8.436, 6.152], [], "orthorhombic"])
+        V = dataV.calculate_volume()
+        Z = 4
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 56*10**9
+        # Shear modulus
+        G = 21*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_ankerite(self):   # Ca(Fe,Mg)(CO3)2
+        #
+        name = "Ank"
+        #
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        magnesium = PeriodicSystem(name="Mg").get_data()
+        iron = PeriodicSystem(name="Fe").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["C", "O", "Mg", "Fe"]
+        #
+        x = round(rd.uniform(0, 1.0), 4)
+        #
+        majors_data = np.array([["C", carbon[1], 2, carbon[2]], ["O", oxygen[1], 6, oxygen[2]],
+                                ["Mg", magnesium[1], (1-x), magnesium[2]], ["Ca", calcium[1], 1, calcium[2]],
+                                ["Fe", iron[1], x, iron[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "variable"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Mn"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = calcium[2] + (x*iron[2] + (1-x)*magnesium[2]) + 2*(carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV_Fe = CrystalPhysics([[4.83, 16.167], [], "trigonal"])
+        V_Fe = dataV_Fe.calculate_volume()
+        Z_Fe = 3
+        V_m_Fe = MineralChemistry().calculate_molar_volume(volume_cell=V_Fe, z=Z_Fe)
+        dataRho_Fe = CrystalPhysics([molar_mass, Z_Fe, V_Fe])
+        rho_Fe = dataRho_Fe.calculate_bulk_density()
+        rho_e_Fe = wg(amounts=amounts, elements=element, rho_b=rho_Fe).calculate_electron_density()
+        dataV_Mg = CrystalPhysics([[4.83, 16.167], [], "trigonal"])
+        V_Mg = dataV_Mg.calculate_volume()
+        Z_Mg = 3
+        V_m_Mg = MineralChemistry().calculate_molar_volume(volume_cell=V_Mg, z=Z_Mg)
+        dataRho_Mg = CrystalPhysics([molar_mass, Z_Mg, V_Mg])
+        rho_Mg = dataRho_Fe.calculate_bulk_density()
+        rho_e_Mg = wg(amounts=amounts, elements=element, rho_b=rho_Mg).calculate_electron_density()
+        V = x*V_Fe + (1-x)*V_Mg
+        V_m = x*V_m_Fe + (1-x)*V_m_Mg
+        rho = x*rho_Fe + (1-x)*rho_Mg
+        rho_e = x*rho_e_Fe + (1-x)*rho_e_Mg
+        # Bulk modulus
+        K_Fe = 73*10**9
+        K_Mg = 89*10**9
+        K = x*K_Fe + (1-x)*K_Mg
+        # Shear modulus
+        G_Fe = 32*10**9
+        G_Mg = 44*10**9
+        G = x*G_Fe + (1-x)*G_Mg
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_azurite(self):   # Cu3(CO3)2(OH)2
+        #
+        name = "Az"
+        #
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        copper = PeriodicSystem(name="Cu").get_data()
+        majors_name = ["H", "C", "O", "Cu"]
+        #
+        majors_data = np.array([["H", hydrogen[1], 2, hydrogen[2]], ["C", carbon[1], 2, carbon[2]],
+                                ["O", oxygen[1], 8, oxygen[2]], ["Cu", copper[1], 3, copper[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = [None]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = 3*copper[2] + 2*(carbon[2] + 3*oxygen[2]) + 2*(oxygen[2] + hydrogen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[5.008, 5.844, 10.336], [92.333], "monoclinic"])
+        V = dataV.calculate_volume()
+        Z = 2
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 112.35*10**9
+        # Shear modulus
+        G = 49.33*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_malachite(self):   # Cu2(CO3)(OH)2
+        #
+        name = "Mal"
+        #
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        copper = PeriodicSystem(name="Cu").get_data()
+        majors_name = ["H", "C", "O", "Cu"]
+        #
+        majors_data = np.array([["H", hydrogen[1], 2, hydrogen[2]], ["C", carbon[1], 2, carbon[2]],
+                                ["O", oxygen[1], 8, oxygen[2]], ["Cu", copper[1], 3, copper[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Zn", "Co", "Ni"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = 2*copper[2] + (carbon[2] + 3*oxygen[2]) + 2*(oxygen[2] + hydrogen[2])
+        molar_mass, amounts = MineralChemistry(w_traces=traces_data, molar_mass_pure=molar_mass_pure,
+                                               majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[9.502, 11.974, 3.24], [98.75], "monoclinic"])
+        V = dataV.calculate_volume()
+        Z = 4
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 118.77*10**9
+        # Shear modulus
+        G = 50.06*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        if self.data_type == False:
+            data = []
+            data.append(name)
+            data.append(round(molar_mass, 3))
+            data.append(round(rho, 2))
+            data.append([round(K*10**(-9), 2), round(G*10**(-9), 2), round(E*10**(-9), 2), round(nu, 4)])
+            data.append([round(vP, 2), round(vS, 2), round(vPvS, 2)])
+            data.append([round(gamma_ray, 2), round(pe, 2), round(U, 2), p])
+            data.append(amounts)
+            #
+            return data
+        else:
+            #
+            results = {}
+            results["mineral"] = name
+            results["state"] = var_state
+            results["M"] = molar_mass
+            element_list = np.array(amounts)[:, 0]
+            results["chemistry"] = {}
+            for index, element in enumerate(element_list, start=0):
+                results["chemistry"][element] = amounts[index][2]
+            results["rho"] = round(rho, 4)
+            results["rho_e"] = round(rho_e, 4)
+            results["V"] = round(V_m, 4)
+            results["vP"] = round(vP, 4)
+            results["vS"] = round(vS, 4)
+            results["vP/vS"] = round(vPvS, 4)
+            results["G"] = round(G*10**(-9), 4)
+            results["K"] = round(K*10**(-9), 4)
+            results["E"] = round(E*10**(-9), 4)
+            results["nu"] = round(nu, 4)
+            results["GR"] = round(gamma_ray, 4)
+            results["PE"] = round(pe, 4)
+            results["U"] = round(U, 4)
+            if p != None:
+                results["p"] = round(p, 4)
+            else:
+                results["p"] = p
+            #
+            return results
+    #
+    def create_ikaite(self):   # CaCO3 * 6*H2O
+        #
+        name = "Ika"
+        #
+        # Major elements
+        hydrogen = PeriodicSystem(name="H").get_data()
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        calcium = PeriodicSystem(name="Ca").get_data()
+        majors_name = ["H", "C", "O", "Ca"]
+        #
+        majors_data = np.array([["H", hydrogen[1], 2, hydrogen[2]], ["C", carbon[1], 2, carbon[2]],
+                                ["O", oxygen[1], 8, oxygen[2]], ["Ca", calcium[1], 3, calcium[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = [None]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = calcium[2] + (carbon[2] + 3*oxygen[2]) + 6*(2*hydrogen[2] + oxygen[2])
+        molar_mass, amounts = MineralChemistry(
+            w_traces=traces_data, molar_mass_pure=molar_mass_pure, majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[8.87, 8.23, 11.02], [110.2], "monoclinic"])
+        V = dataV.calculate_volume()
+        Z = 4
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = np.mean([30.9524, 40.3962])*10**9
+        # Shear modulus
+        G = np.mean([16.4415, 18.714])*10**9
+        # Young's modulus
+        E = (9*K*G)/(3*K + G)
+        # Poisson's ratio
+        nu = (3*K - 2*G)/(2*(3*K + G))
+        # vP/vS
+        vPvS = ((K + 4/3*G)/G)**0.5
+        # P-wave velocity
+        vP = ((K + 4/3*G)/rho)**0.5
+        # S-wave velocity
+        vS = (G/rho)**0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe*rho_e*10**(-3)
+        # Electrical resistivity
+        p = None
+        #
+        results = {}
+        results["mineral"] = name
+        results["state"] = var_state
+        results["M"] = molar_mass
+        element_list = np.array(amounts)[:, 0]
+        results["chemistry"] = {}
+        for index, element in enumerate(element_list, start=0):
+            results["chemistry"][element] = amounts[index][2]
+        results["rho"] = round(rho, 4)
+        results["rho_e"] = round(rho_e, 4)
+        results["V"] = round(V_m, 4)
+        results["vP"] = round(vP, 4)
+        results["vS"] = round(vS, 4)
+        results["vP/vS"] = round(vPvS, 4)
+        results["G"] = round(G*10**(-9), 4)
+        results["K"] = round(K*10**(-9), 4)
+        results["E"] = round(E*10**(-9), 4)
+        results["nu"] = round(nu, 4)
+        results["GR"] = round(gamma_ray, 4)
+        results["PE"] = round(pe, 4)
+        results["U"] = round(U, 4)
+        if p != None:
+            results["p"] = round(p, 4)
+        else:
+            results["p"] = p
+        #
+        return results
+    #
+    def create_smithsonite(self):  # ZnCO3
+        #
+        name = "Smt"
+        #
+        # Major elements
+        carbon = PeriodicSystem(name="C").get_data()
+        oxygen = PeriodicSystem(name="O").get_data()
+        zinc = PeriodicSystem(name="Zn").get_data()
+        majors_name = ["C", "O", "Zn"]
+        #
+        majors_data = np.array(
+            [["C", carbon[1], 1, carbon[2]], ["O", oxygen[1], 3, oxygen[2]], ["Zn", zinc[1], 1, zinc[2]]], dtype=object)
+        # Minor elements
+        traces_data = []
+        if len(self.traces_list) > 0:
+            self.impurity = "impure"
+        if self.impurity == "pure":
+            var_state = "fixed"
+        else:
+            var_state = "variable"
+            if self.impurity == "random":
+                self.traces_list = []
+                minors = ["Fe", "Co", "Cu", "Mn", "Ca", "Cd", "Mg", "In"]
+                n = rd.randint(1, len(minors))
+                while len(self.traces_list) < n:
+                    selection = rd.choice(minors)
+                    if selection not in self.traces_list and selection not in majors_name:
+                        self.traces_list.append(selection)
+                    else:
+                        continue
+            traces = [PeriodicSystem(name=i).get_data() for i in self.traces_list]
+            x_traces = [round(rd.uniform(0., 0.001), 6) for i in range(len(self.traces_list))]
+            for i in range(len(self.traces_list)):
+                traces_data.append([str(self.traces_list[i]), int(traces[i][1]), float(x_traces[i])])
+            if len(traces_data) > 0:
+                traces_data = np.array(traces_data, dtype=object)
+                traces_data = traces_data[traces_data[:, 1].argsort()]
+        #
+        # Molar mass
+        molar_mass_pure = zinc[2] + (carbon[2] + 3*oxygen[2])
+        molar_mass, amounts = MineralChemistry(
+            w_traces=traces_data, molar_mass_pure=molar_mass_pure, majors=majors_data).calculate_molar_mass()
+        element = [PeriodicSystem(name=amounts[i][0]).get_data() for i in range(len(amounts))]
+        # Density
+        dataV = CrystalPhysics([[4.653, 15.028], [], "trigonal"])
+        V = dataV.calculate_volume()
+        Z = 6
+        V_m = MineralChemistry().calculate_molar_volume(volume_cell=V, z=Z)
+        dataRho = CrystalPhysics([molar_mass, Z, V])
+        rho = dataRho.calculate_bulk_density()
+        rho_e = wg(amounts=amounts, elements=element, rho_b=rho).calculate_electron_density()
+        # Bulk modulus
+        K = 117*10**9
+        # Shear modulus
+        G = 49*10**9
+        # Young's modulus
+        E = (9 * K * G) / (3 * K + G)
+        # Poisson's ratio
+        nu = (3 * K - 2 * G) / (2 * (3 * K + G))
+        # vP/vS
+        vPvS = ((K + 4 / 3 * G) / G) ** 0.5
+        # P-wave velocity
+        vP = ((K + 4 / 3 * G) / rho) ** 0.5
+        # S-wave velocity
+        vS = (G / rho) ** 0.5
+        # Gamma ray
+        gamma_ray = wg(amounts=amounts, elements=element).calculate_gr()
+        # Photoelectricity
+        pe = wg(amounts=amounts, elements=element).calculate_pe()
+        U = pe * rho_e * 10 ** (-3)
+        # Electrical resistivity
+        p = None
+        #
+        results = {}
+        results["mineral"] = name
+        results["state"] = var_state
+        results["M"] = molar_mass
+        element_list = np.array(amounts)[:, 0]
+        results["chemistry"] = {}
+        for index, element in enumerate(element_list, start=0):
+            results["chemistry"][element] = amounts[index][2]
+        results["rho"] = round(rho, 4)
+        results["rho_e"] = round(rho_e, 4)
+        results["V"] = round(V_m, 4)
+        results["vP"] = round(vP, 4)
+        results["vS"] = round(vS, 4)
+        results["vP/vS"] = round(vPvS, 4)
+        results["G"] = round(G * 10 ** (-9), 4)
+        results["K"] = round(K * 10 ** (-9), 4)
+        results["E"] = round(E * 10 ** (-9), 4)
+        results["nu"] = round(nu, 4)
+        results["GR"] = round(gamma_ray, 4)
+        results["PE"] = round(pe, 4)
+        results["U"] = round(U, 4)
+        if p != None:
+            results["p"] = round(p, 4)
+        else:
+            results["p"] = p
+        #
+        return results
+#
+class CustomCarbonates:
+    #
+    def __init__(self, fluid, actualThickness, output_type=False, porosity=None):
+        self.fluid = fluid
+        self.actualThickness = actualThickness
+        self.output_type = output_type
+        self.porosity = porosity
+    #
+    def create_custom_rock_01(self, amounts=None):
+        #
+        self.amounts = amounts
+        #
+        # Mineralogy + Fluids
+        org = Carbonates(impurity="pure", dict=True).create_organic_matter()
+        quartz = Oxides(impurity="pure", data_type=True).create_quartz()
+        alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
+        plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
+        calcite = Carbonates(impurity="pure", dict=True).create_calcite()
+        dolomite = Carbonates(impurity="pure", dict=True).create_dolomite()
+        siderite = Carbonates(impurity="pure", dict=True).create_siderite()
+        anhydrite = Sulfates(data_type=True).create_anhydrite()
+        gypsum = Sulfates(data_type=True).create_gypsum()
+        pyrite = Sulfides(impurity="pure", dict=True).create_pyrite()
+        illite = Pyllosilicates(impurity="pure", dict=True).create_illite()
+        #
+        mineralogy = [org, quartz, alkalifeldspar, plagioclase, calcite, dolomite, siderite, anhydrite, gypsum, pyrite,
+                      illite]
+        #
+        water = fluids.Water.water("")
+        #
+        data = []
+        results = {}
+        #
+        cond = False
+        composition = []
+        while cond == False:
+            if self.amounts == None:
+                w_org = round(0.1/100, 4)
+                w_qz = round(1.3/100, 4)
+                w_kfs = round(0/100, 4)
+                w_pl = round(0/100, 4)
+                w_cal = round(8.1/100, 4)
+                w_dol = round(87/100, 4)
+                w_sd = round(0/100, 4)
+                w_anh = round(0/100, 4)
+                w_gyp = round(0/100, 4)
+                w_py = round(0.1/100, 4)
+                w_ilt = round(1 - w_org - w_qz - w_kfs - w_pl - w_cal - w_dol - w_sd - w_anh - w_gyp - w_py, 4)
+            elif type(self.amounts) is list:
+                w_org = round(abs(np.random.normal(self.amounts[0], 0.025)), 4)
+                w_qz = round(abs(np.random.normal(self.amounts[1], 0.025)), 4)
+                w_kfs = round(abs(np.random.normal(self.amounts[2], 0.025)), 4)
+                w_pl = round(abs(np.random.normal(self.amounts[3], 0.025)), 4)
+                w_cal = round(abs(np.random.normal(self.amounts[4], 0.025)), 4)
+                w_dol = round(abs(np.random.normal(self.amounts[5], 0.025)), 4)
+                w_sd = round(abs(np.random.normal(self.amounts[6], 0.025)), 4)
+                w_anh = round(abs(np.random.normal(self.amounts[7], 0.025)), 4)
+                w_gyp = round(abs(np.random.normal(self.amounts[8], 0.025)), 4)
+                w_py = round(abs(np.random.normal(self.amounts[9], 0.025)), 4)
+                w_ilt = round(1 - w_org - w_qz - w_kfs - w_pl - w_cal - w_dol - w_sd - w_anh - w_gyp - w_py, 4)
+            #
+            if w_org >= 0.0 and w_qz >= 0.0 and w_kfs >= 0.0 and w_pl >= 0.0 and w_cal >= 0.0 and w_dol >= 0.0 \
+                    and w_sd >= 0.0 and w_anh >= 0.0 and w_gyp >= 0.0 and w_py >= 0.0 and w_ilt >= 0.0:
+                sumMin = round(w_org + w_qz + w_kfs + w_pl + w_cal + w_dol + w_sd + w_anh + w_gyp + w_py + w_ilt, 4)
+            else:
+                sumMin = 0
+            #
+            w_H = round(w_org*org["chemistry"]["H"] + w_gyp*gypsum["chemistry"]["H"] + w_ilt*illite["chemistry"]["H"], 4)
+            w_C = round(w_org*org["chemistry"]["C"] + w_cal*calcite["chemistry"]["C"] + w_dol*dolomite["chemistry"]["C"] + w_sd*siderite["chemistry"]["C"], 4)
+            w_N = round(w_org*org["chemistry"]["N"], 4)
+            w_Na = round(w_kfs*alkalifeldspar["chemistry"]["Na"] + w_pl*plagioclase["chemistry"]["Na"], 4)
+            w_Mg = round(w_dol*dolomite["chemistry"]["Mg"] + w_ilt*illite["chemistry"]["Mg"], 4)
+            w_Al = round(w_kfs*alkalifeldspar["chemistry"]["Al"] + w_pl*plagioclase["chemistry"]["Al"] + w_ilt*illite["chemistry"]["Al"], 4)
+            w_Si = round(w_qz*quartz["chemistry"]["Si"] + w_kfs*alkalifeldspar["chemistry"]["Si"] + w_pl*plagioclase["chemistry"]["Si"] + w_ilt*illite["chemistry"]["Si"], 4)
+            w_S = round(w_org*org["chemistry"]["S"] + w_py*pyrite["chemistry"]["S"], 4)
+            w_K = round(w_kfs*alkalifeldspar["chemistry"]["K"] + w_ilt*illite["chemistry"]["K"], 4)
+            w_Ca = round(w_pl*plagioclase["chemistry"]["Ca"] + w_cal*calcite["chemistry"]["Ca"] + w_dol*dolomite["chemistry"]["Ca"] + w_anh*anhydrite["chemistry"]["Ca"] + w_gyp*gypsum["chemistry"]["Ca"], 4)
+            w_Fe = round(w_sd*siderite["chemistry"]["Fe"] + w_py*pyrite["chemistry"]["Fe"] + w_ilt*illite["chemistry"]["Fe"], 4)
+            w_O = round(1 - w_H - w_C - w_N - w_Na - w_Mg - w_Al - w_Si - w_S - w_K - w_Ca - w_Fe, 4)
+            sumConc = round(w_H + w_C + w_N + w_O + w_Na + w_Mg + w_Al + w_Si + w_S + w_K + w_Ca + w_Fe, 4)
+            #print("Amount:", sumMin, "C:", sumConc)
+            #
+            if sumMin == 1 and sumConc == 1:
+                cond = True
+                composition.extend((["Org", "Qz", "Kfs", "Pl", "Cal", "Dol", "Sd", "Anh", "Gyp", "Py", "Ilt"]))
+                concentrations = [w_H, w_C, w_N, w_O, w_Na, w_Mg, w_Al, w_Si, w_S, w_K, w_Ca, w_Fe]
+                amounts = [w_org, w_qz, w_kfs, w_pl, w_cal, w_dol, w_sd, w_anh, w_gyp, w_py, w_ilt]
+            else:
+                cond = False
+        #
+        element_list = ["H", "C", "N", "O", "Na", "Mg", "Al", "Si", "S", "K", "Ca", "Fe"]
+        mineral_list = ["Org", "Qz", "Kfs", "Pl", "Cal", "Dol", "Sd", "Anh", "Gyp", "Py", "Ilt"]
+        data.append(composition)
+        results["chemistry"] = {}
+        results["mineralogy"] = {}
+        for index, element in enumerate(element_list, start=0):
+            results["chemistry"][element] = concentrations[index]
+        for index, mineral in enumerate(mineral_list, start=0):
+            results["mineralogy"][mineral] = amounts[index]
+        #
+        rhoSolid = (w_org*org["rho"] + w_qz*quartz["rho"] + w_kfs*alkalifeldspar["rho"] + w_pl*plagioclase["rho"]
+                    + w_cal*calcite["rho"] + w_dol*dolomite["rho"] + w_sd*siderite["rho"] + w_anh*anhydrite["rho"]
+                    + w_gyp*gypsum["rho"] + w_py*pyrite["rho"] + w_ilt*illite["rho"]) / 1000
+        rhoSolid = 0.975*rhoSolid
+        X = [w_org, w_qz, w_kfs, w_pl, w_cal, w_dol, w_sd, w_anh, w_gyp, w_py, w_ilt]
+        K_list = [mineralogy[i]["K"] for i in range(len(mineralogy))]
+        G_list = [mineralogy[i]["G"] for i in range(len(mineralogy))]
+        K_geo = elast.calc_geometric_mean(self, X, K_list)
+        G_geo = elast.calc_geometric_mean(self, X, G_list)
+        K_solid = 0.35*K_geo
+        G_solid = 0.275*G_geo
+        vP_solid = np.sqrt((K_solid*10**9+4/3*G_solid*10**9)/(rhoSolid*10**3))
+        vS_solid = np.sqrt((G_solid*10**9)/(rhoSolid*10**3))
+        E_solid = (9*K_solid*G_solid)/(3*K_solid+G_solid)
+        nu_solid = (3*K_solid-2*G_solid)/(2*(3*K_solid+G_solid))
+        #
+        if self.porosity == None:
+            if self.actualThickness <= 1000:
+                phi = rd.uniform(0.0, 0.025)
+            elif self.actualThickness > 1000 and self.actualThickness <= 2000:
+                phi = rd.uniform(0.0, 0.025)
+            elif self.actualThickness > 2000 and self.actualThickness <= 3000:
+                phi = rd.uniform(0.0, 0.025)
+            elif self.actualThickness > 3000 and self.actualThickness <= 4000:
+                phi = rd.uniform(0.0, 0.025)
+            elif self.actualThickness > 4000:
+                phi = rd.uniform(0.0, 0.025)
+        else:
+            phi = self.porosity
+        #
+        results["phi"] = phi
+        results["fluid"] = self.fluid
+        #
+        rho = (1 - phi) * rhoSolid + phi * water[2] / 1000
+        vP = (1-phi)*vP_solid + phi*water[4][0]
+        vS = (1 - phi) * vS_solid
+        G_bulk = vS**2 * rho
+        K_bulk = vP**2 * rho - 4/3*G_bulk
+        E_bulk = (9*K_bulk*G_bulk)/(3*K_bulk+G_bulk)
+        phiD = (rhoSolid - rho) / (rhoSolid - water[2] / 1000)
+        phiN = (2 * phi ** 2 - phiD ** 2) ** (0.5)
+        GR = w_org*org["GR"] + w_qz*quartz["GR"] + w_kfs*alkalifeldspar["GR"] + w_pl*plagioclase["GR"] \
+             + w_cal*calcite["GR"] + w_dol*dolomite["GR"] + w_sd*siderite["GR"] + w_anh*anhydrite["GR"] \
+             + w_gyp*gypsum["GR"] + w_py*pyrite["GR"] + w_ilt*illite["GR"]
+        PE = w_org*org["PE"] + w_qz*quartz["PE"] + w_kfs*alkalifeldspar["PE"] + w_pl*plagioclase["PE"] \
+             + w_cal*calcite["PE"] + w_dol*dolomite["PE"] + w_sd*siderite["PE"] + w_anh*anhydrite["PE"] \
+             + w_gyp*gypsum["PE"] + w_py*pyrite["PE"] + w_ilt*illite["PE"]
+        poisson_seismic = 0.5*(vP**2 - 2*vS**2)/(vP**2 - vS**2)
+        poisson_elastic = (3*K_bulk - 2*G_bulk)/(6*K_bulk + 2*G_bulk)
+        poisson_mineralogical = w_org*org["nu"] + w_qz*quartz["nu"] + w_kfs*alkalifeldspar["nu"] + w_pl*plagioclase["nu"] \
+                                + w_cal*calcite["nu"] + w_dol*dolomite["nu"] + w_sd*siderite["nu"] + w_anh*anhydrite["nu"] \
+                                + w_gyp*gypsum["nu"] + w_py*pyrite["nu"] + w_ilt*illite["nu"]
+        #
+        results["rho"] = round(rho*1000, 4)
+        results["vP"] = round(vP, 4)
+        results["vS"] = round(vS, 4)
+        results["vP/vS"] = round(vP/vS, 4)
+        results["G"] = round(G_bulk*10**(-6), 4)
+        results["K"] = round(K_bulk*10**(-6), 4)
+        results["E"] = round(E_bulk*10**(-6), 4)
+        results["nu"] = round(poisson_mineralogical, 4)
+        results["GR"] = round(GR, 4)
+        results["PE"] = round(PE, 4)
+        #
+        data.append([round(rho, 3), round(rhoSolid, 3), round(water[2] / 1000, 6)])
+        data.append([round(K_bulk*10**(-6), 2), round(G_bulk*10**(-6), 2), round(E_bulk*10**(-6), 2), round(poisson_mineralogical, 3)])
+        data.append([round(vP, 2), round(vS, 2), round(vP_solid, 2), round(water[4][0], 2)])
+        data.append([round(phi, 3), round(phiD, 3), round(phiN, 3)])
+        data.append("water")
+        data.append([round(GR, 3), round(PE, 3)])
+        data.append(concentrations)
+        data.append(amounts)
+        #
+        if dict == False:
+            return data
+        else:
+            return results