{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "I4_1/acd"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.871673
                0.108489
                0.56074
            ]
            [
                0.608489
                0.371673
                0.43926
            ]
            [
                0.391511
                0.628327
                0.43926
            ]
            [
                0.371673
                0.891511
                0.68926
            ]
            [
                0.628327
                0.108489
                0.68926
            ]
            [
                0.891511
                0.371673
                0.81074
            ]
            [
                0.108489
                0.628327
                0.81074
            ]
            [
                0.128327
                0.891511
                0.56074
            ]
            [
                0.128327
                0.391511
                0.68926
            ]
            [
                0.391511
                0.128327
                0.81074
            ]
            [
                0.608489
                0.871673
                0.81074
            ]
            [
                0.628327
                0.608489
                0.56074
            ]
            [
                0.371673
                0.391511
                0.56074
            ]
            [
                0.108489
                0.128327
                0.43926
            ]
            [
                0.891511
                0.871673
                0.43926
            ]
            [
                0.871673
                0.608489
                0.68926
            ]
            [
                0.371673
                0.608489
                0.06074
            ]
            [
                0.108489
                0.871673
                0.93926
            ]
            [
                0.891511
                0.128327
                0.93926
            ]
            [
                0.871673
                0.391511
                0.18926
            ]
            [
                0.128327
                0.608489
                0.18926
            ]
            [
                0.391511
                0.871673
                0.31074
            ]
            [
                0.608489
                0.128327
                0.31074
            ]
            [
                0.628327
                0.391511
                0.06074
            ]
            [
                0.628327
                0.891511
                0.18926
            ]
            [
                0.891511
                0.628327
                0.31074
            ]
            [
                0.108489
                0.371673
                0.31074
            ]
            [
                0.128327
                0.108489
                0.06074
            ]
            [
                0.871673
                0.891511
                0.06074
            ]
            [
                0.608489
                0.628327
                0.93926
            ]
            [
                0.391511
                0.371673
                0.93926
            ]
            [
                0.371673
                0.108489
                0.18926
            ]
            [
                0.706518
                0.032727
                0.472899
            ]
            [
                0.532727
                0.206518
                0.527101
            ]
            [
                0.467273
                0.793482
                0.527101
            ]
            [
                0.206518
                0.967273
                0.777101
            ]
            [
                0.793482
                0.032727
                0.777101
            ]
            [
                0.967273
                0.206518
                0.722899
            ]
            [
                0.032727
                0.793482
                0.722899
            ]
            [
                0.293482
                0.967273
                0.472899
            ]
            [
                0.293482
                0.467273
                0.777101
            ]
            [
                0.467273
                0.293482
                0.722899
            ]
            [
                0.532727
                0.706518
                0.722899
            ]
            [
                0.793482
                0.532727
                0.472899
            ]
            [
                0.206518
                0.467273
                0.472899
            ]
            [
                0.032727
                0.293482
                0.527101
            ]
            [
                0.967273
                0.706518
                0.527101
            ]
            [
                0.706518
                0.532727
                0.777101
            ]
            [
                0.717148
                0.923753
                0.526856
            ]
            [
                0.423753
                0.217148
                0.473144
            ]
            [
                0.576247
                0.782852
                0.473144
            ]
            [
                0.217148
                0.076247
                0.723144
            ]
            [
                0.782852
                0.923753
                0.723144
            ]
            [
                0.076247
                0.217148
                0.776856
            ]
            [
                0.923753
                0.782852
                0.776856
            ]
            [
                0.282852
                0.076247
                0.526856
            ]
            [
                0.282852
                0.576247
                0.723144
            ]
            [
                0.576247
                0.282852
                0.776856
            ]
            [
                0.423753
                0.717148
                0.776856
            ]
            [
                0.23075
                0.307315
                0.849311
            ]
            [
                0.782852
                0.423753
                0.526856
            ]
            [
                0.923753
                0.282852
                0.473144
            ]
            [
                0.076247
                0.717148
                0.473144
            ]
            [
                0.717148
                0.423753
                0.723144
            ]
            [
                0.55786
                0.950054
                0.395946
            ]
            [
                0.450054
                0.05786
                0.604054
            ]
            [
                0.549946
                0.94214
                0.604054
            ]
            [
                0.05786
                0.049946
                0.854054
            ]
            [
                0.94214
                0.950054
                0.854054
            ]
            [
                0.049946
                0.05786
                0.645946
            ]
            [
                0.950054
                0.94214
                0.645946
            ]
            [
                0.44214
                0.049946
                0.395946
            ]
            [
                0.44214
                0.549946
                0.854054
            ]
            [
                0.549946
                0.44214
                0.645946
            ]
            [
                0.450054
                0.55786
                0.645946
            ]
            [
                0.94214
                0.450054
                0.395946
            ]
            [
                0.05786
                0.549946
                0.395946
            ]
            [
                0.950054
                0.44214
                0.604054
            ]
            [
                0.049946
                0.55786
                0.604054
            ]
            [
                0.55786
                0.450054
                0.854054
            ]
            [
                0.23075
                0.807315
                0.400689
            ]
            [
                0.192685
                0.73075
                0.650689
            ]
            [
                0.807315
                0.26925
                0.650689
            ]
            [
                0.73075
                0.192685
                0.849311
            ]
            [
                0.26925
                0.807315
                0.849311
            ]
            [
                0.307315
                0.73075
                0.599311
            ]
            [
                0.692685
                0.26925
                0.599311
            ]
            [
                0.76925
                0.192685
                0.400689
            ]
            [
                0.76925
                0.692685
                0.849311
            ]
            [
                0.807315
                0.76925
                0.599311
            ]
            [
                0.192685
                0.23075
                0.599311
            ]
            [
                0.26925
                0.307315
                0.400689
            ]
            [
                0.73075
                0.692685
                0.400689
            ]
            [
                0.692685
                0.76925
                0.650689
            ]
            [
                0.307315
                0.23075
                0.650689
            ]
            [
                0.217148
                0.576247
                0.526856
            ]
            [
                0.206518
                0.532727
                0.972899
            ]
            [
                0.032727
                0.706518
                0.027101
            ]
            [
                0.967273
                0.293482
                0.027101
            ]
            [
                0.706518
                0.467273
                0.277101
            ]
            [
                0.293482
                0.532727
                0.277101
            ]
            [
                0.467273
                0.706518
                0.222899
            ]
            [
                0.532727
                0.293482
                0.222899
            ]
            [
                0.793482
                0.467273
                0.972899
            ]
            [
                0.793482
                0.967273
                0.277101
            ]
            [
                0.967273
                0.793482
                0.222899
            ]
            [
                0.032727
                0.206518
                0.222899
            ]
            [
                0.293482
                0.032727
                0.972899
            ]
            [
                0.706518
                0.967273
                0.972899
            ]
            [
                0.532727
                0.793482
                0.027101
            ]
            [
                0.467273
                0.206518
                0.027101
            ]
            [
                0.206518
                0.032727
                0.277101
            ]
            [
                0.217148
                0.423753
                0.026856
            ]
            [
                0.923753
                0.717148
                0.973144
            ]
            [
                0.076247
                0.282852
                0.973144
            ]
            [
                0.717148
                0.576247
                0.223144
            ]
            [
                0.282852
                0.423753
                0.223144
            ]
            [
                0.576247
                0.717148
                0.276856
            ]
            [
                0.423753
                0.282852
                0.276856
            ]
            [
                0.782852
                0.576247
                0.026856
            ]
            [
                0.782852
                0.076247
                0.223144
            ]
            [
                0.076247
                0.782852
                0.276856
            ]
            [
                0.923753
                0.217148
                0.276856
            ]
            [
                0.73075
                0.807315
                0.349311
            ]
            [
                0.282852
                0.923753
                0.026856
            ]
            [
                0.423753
                0.782852
                0.973144
            ]
            [
                0.576247
                0.217148
                0.973144
            ]
            [
                0.217148
                0.923753
                0.223144
            ]
            [
                0.05786
                0.450054
                0.895946
            ]
            [
                0.950054
                0.55786
                0.104054
            ]
            [
                0.049946
                0.44214
                0.104054
            ]
            [
                0.55786
                0.549946
                0.354054
            ]
            [
                0.44214
                0.450054
                0.354054
            ]
            [
                0.549946
                0.55786
                0.145946
            ]
            [
                0.450054
                0.44214
                0.145946
            ]
            [
                0.94214
                0.549946
                0.895946
            ]
            [
                0.94214
                0.049946
                0.354054
            ]
            [
                0.049946
                0.94214
                0.145946
            ]
            [
                0.950054
                0.05786
                0.145946
            ]
            [
                0.44214
                0.950054
                0.895946
            ]
            [
                0.55786
                0.049946
                0.895946
            ]
            [
                0.450054
                0.94214
                0.104054
            ]
            [
                0.549946
                0.05786
                0.104054
            ]
            [
                0.05786
                0.950054
                0.354054
            ]
            [
                0.73075
                0.307315
                0.900689
            ]
            [
                0.692685
                0.23075
                0.150689
            ]
            [
                0.307315
                0.76925
                0.150689
            ]
            [
                0.23075
                0.692685
                0.349311
            ]
            [
                0.76925
                0.307315
                0.349311
            ]
            [
                0.807315
                0.23075
                0.099311
            ]
            [
                0.192685
                0.76925
                0.099311
            ]
            [
                0.26925
                0.692685
                0.900689
            ]
            [
                0.26925
                0.192685
                0.349311
            ]
            [
                0.307315
                0.26925
                0.099311
            ]
            [
                0.692685
                0.73075
                0.099311
            ]
            [
                0.76925
                0.807315
                0.900689
            ]
            [
                0.23075
                0.192685
                0.900689
            ]
            [
                0.192685
                0.26925
                0.150689
            ]
            [
                0.807315
                0.73075
                0.150689
            ]
            [
                0.717148
                0.076247
                0.026856
            ]
            [
                0.017036
                0.272713
                0.749259
            ]
            [
                0.272713
                0.017036
                0.750741
            ]
            [
                0.727287
                0.982964
                0.750741
            ]
            [
                0.517036
                0.727287
                0.500741
            ]
            [
                0.482964
                0.272713
                0.500741
            ]
            [
                0.227287
                0.017036
                0.499259
            ]
            [
                0.772713
                0.982964
                0.499259
            ]
            [
                0.982964
                0.727287
                0.749259
            ]
            [
                0.982964
                0.227287
                0.500741
            ]
            [
                0.727287
                0.482964
                0.499259
            ]
            [
                0.272713
                0.517036
                0.499259
            ]
            [
                0.482964
                0.772713
                0.749259
            ]
            [
                0.517036
                0.227287
                0.749259
            ]
            [
                0.772713
                0.482964
                0.750741
            ]
            [
                0.227287
                0.517036
                0.750741
            ]
            [
                0.017036
                0.772713
                0.500741
            ]
            [
                0.5
                0
                0.634906
            ]
            [
                0.5
                0.5
                0.384906
            ]
            [
                0
                0
                0.615094
            ]
            [
                0
                0.5
                0.865094
            ]
            [
                0.5
                0.5
                0.615094
            ]
            [
                0.5
                0
                0.865094
            ]
            [
                0
                0.5
                0.634906
            ]
            [
                0
                0
                0.384906
            ]
            [
                0.791671
                0.75
                0.375
            ]
            [
                0.25
                0.291671
                0.625
            ]
            [
                0.75
                0.708329
                0.625
            ]
            [
                0.208329
                0.25
                0.375
            ]
            [
                0.708329
                0.25
                0.375
            ]
            [
                0.75
                0.208329
                0.625
            ]
            [
                0.25
                0.791671
                0.625
            ]
            [
                0.291671
                0.75
                0.375
            ]
            [
                0.517036
                0.772713
                0.249259
            ]
            [
                0.772713
                0.517036
                0.250741
            ]
            [
                0.227287
                0.482964
                0.250741
            ]
            [
                0.017036
                0.227287
                0.000741
            ]
            [
                0.982964
                0.772713
                0.000741
            ]
            [
                0.727287
                0.517036
                0.999259
            ]
            [
                0.272713
                0.482964
                0.999259
            ]
            [
                0.482964
                0.227287
                0.249259
            ]
            [
                0.482964
                0.727287
                0.000741
            ]
            [
                0.227287
                0.982964
                0.999259
            ]
            [
                0.772713
                0.017036
                0.999259
            ]
            [
                0.982964
                0.272713
                0.249259
            ]
            [
                0.017036
                0.727287
                0.249259
            ]
            [
                0.272713
                0.982964
                0.250741
            ]
            [
                0.727287
                0.017036
                0.250741
            ]
            [
                0.517036
                0.272713
                0.000741
            ]
            [
                0
                0.5
                0.134906
            ]
            [
                0
                0
                0.884906
            ]
            [
                0.5
                0.5
                0.115094
            ]
            [
                0.5
                0
                0.365094
            ]
            [
                0
                0
                0.115094
            ]
            [
                0
                0.5
                0.365094
            ]
            [
                0.5
                0
                0.134906
            ]
            [
                0.5
                0.5
                0.884906
            ]
            [
                0.291671
                0.25
                0.875
            ]
            [
                0.75
                0.791671
                0.125
            ]
            [
                0.25
                0.208329
                0.125
            ]
            [
                0.708329
                0.75
                0.875
            ]
            [
                0.208329
                0.75
                0.875
            ]
            [
                0.25
                0.708329
                0.125
            ]
            [
                0.75
                0.291671
                0.125
            ]
            [
                0.791671
                0.25
                0.875
            ]
        ]
    }
    "species" {
        "source-value" [
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "Mg"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
            "N"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 10.5031934795
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 20.7186874141
        "source-unit" "angstrom"
    }
}