{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P-42_1c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.519644
                0.379561
                0.100451
            ]
            [
                0.019644
                0.120439
                0.399549
            ]
            [
                0.480356
                0.620439
                0.100451
            ]
            [
                0.980356
                0.879561
                0.399549
            ]
            [
                0.620439
                0.519644
                0.899549
            ]
            [
                0.879561
                0.019644
                0.600451
            ]
            [
                0.379561
                0.480356
                0.899549
            ]
            [
                0.120439
                0.980356
                0.600451
            ]
            [
                0.395066
                0.219009
                0.916424
            ]
            [
                0.895066
                0.280991
                0.583576
            ]
            [
                0.604934
                0.780991
                0.916424
            ]
            [
                0.104934
                0.719009
                0.583576
            ]
            [
                0.780991
                0.395066
                0.083576
            ]
            [
                0.719009
                0.895066
                0.416424
            ]
            [
                0.219009
                0.604934
                0.083576
            ]
            [
                0.280991
                0.104934
                0.416424
            ]
            [
                0.5
                0.5
                0.590882
            ]
            [
                0
                0
                0.909118
            ]
            [
                0.5
                0.5
                0.409118
            ]
            [
                0
                0
                0.090882
            ]
            [
                0.196487
                0.448121
                0.651332
            ]
            [
                0.696487
                0.051879
                0.848668
            ]
            [
                0.803513
                0.551879
                0.651332
            ]
            [
                0.303513
                0.948121
                0.848668
            ]
            [
                0.551879
                0.196487
                0.348668
            ]
            [
                0.948121
                0.696487
                0.151332
            ]
            [
                0.448121
                0.803513
                0.348668
            ]
            [
                0.051879
                0.303513
                0.151332
            ]
            [
                0.192645
                0.27415
                0.627861
            ]
            [
                0.692645
                0.22585
                0.872139
            ]
            [
                0.807355
                0.72585
                0.627861
            ]
            [
                0.307355
                0.77415
                0.872139
            ]
            [
                0.72585
                0.192645
                0.372139
            ]
            [
                0.77415
                0.692645
                0.127861
            ]
            [
                0.27415
                0.807355
                0.372139
            ]
            [
                0.22585
                0.307355
                0.127861
            ]
            [
                0.114119
                0.19707
                0.764491
            ]
            [
                0.614119
                0.30293
                0.735509
            ]
            [
                0.885881
                0.80293
                0.764491
            ]
            [
                0.385881
                0.69707
                0.735509
            ]
            [
                0.80293
                0.114119
                0.235509
            ]
            [
                0.69707
                0.614119
                0.264491
            ]
            [
                0.19707
                0.885881
                0.235509
            ]
            [
                0.30293
                0.385881
                0.264491
            ]
            [
                0.045637
                0.306857
                0.891843
            ]
            [
                0.545637
                0.193143
                0.608157
            ]
            [
                0.954363
                0.693143
                0.891843
            ]
            [
                0.454363
                0.806857
                0.608157
            ]
            [
                0.693143
                0.045637
                0.108157
            ]
            [
                0.806857
                0.545637
                0.391843
            ]
            [
                0.306857
                0.954363
                0.108157
            ]
            [
                0.193143
                0.454363
                0.391843
            ]
            [
                0.105077
                0.464278
                0.812792
            ]
            [
                0.605077
                0.035722
                0.687208
            ]
            [
                0.894923
                0.535722
                0.812792
            ]
            [
                0.394923
                0.964278
                0.687208
            ]
            [
                0.535722
                0.105077
                0.187208
            ]
            [
                0.964278
                0.605077
                0.312792
            ]
            [
                0.464278
                0.894923
                0.187208
            ]
            [
                0.035722
                0.394923
                0.312792
            ]
            [
                0.211084
                0.36474
                0.608101
            ]
            [
                0.711084
                0.13526
                0.891899
            ]
            [
                0.788916
                0.63526
                0.608101
            ]
            [
                0.288916
                0.86474
                0.891899
            ]
            [
                0.63526
                0.211084
                0.391899
            ]
            [
                0.86474
                0.711084
                0.108101
            ]
            [
                0.36474
                0.788916
                0.391899
            ]
            [
                0.13526
                0.288916
                0.108101
            ]
            [
                0.147902
                0.269928
                0.713341
            ]
            [
                0.647902
                0.230072
                0.786659
            ]
            [
                0.852098
                0.730072
                0.713341
            ]
            [
                0.352098
                0.769928
                0.786659
            ]
            [
                0.730072
                0.147902
                0.286659
            ]
            [
                0.769928
                0.647902
                0.213341
            ]
            [
                0.269928
                0.852098
                0.286659
            ]
            [
                0.230072
                0.352098
                0.213341
            ]
            [
                0.071731
                0.229904
                0.843366
            ]
            [
                0.571731
                0.270096
                0.656634
            ]
            [
                0.928269
                0.770096
                0.843366
            ]
            [
                0.428269
                0.729904
                0.656634
            ]
            [
                0.770096
                0.071731
                0.156634
            ]
            [
                0.729904
                0.571731
                0.343366
            ]
            [
                0.229904
                0.928269
                0.156634
            ]
            [
                0.270096
                0.428269
                0.343366
            ]
            [
                0.067228
                0.392952
                0.861411
            ]
            [
                0.567228
                0.107048
                0.638589
            ]
            [
                0.932772
                0.607048
                0.861411
            ]
            [
                0.432772
                0.892952
                0.638589
            ]
            [
                0.607048
                0.067228
                0.138589
            ]
            [
                0.892952
                0.567228
                0.361411
            ]
            [
                0.392952
                0.932772
                0.138589
            ]
            [
                0.107048
                0.432772
                0.361411
            ]
            [
                0.149195
                0.444283
                0.732785
            ]
            [
                0.649195
                0.055717
                0.767215
            ]
            [
                0.850805
                0.555717
                0.732785
            ]
            [
                0.350805
                0.944283
                0.767215
            ]
            [
                0.555717
                0.149195
                0.267215
            ]
            [
                0.944283
                0.649195
                0.232785
            ]
            [
                0.444283
                0.850805
                0.267215
            ]
            [
                0.055717
                0.350805
                0.232785
            ]
            [
                0.445529
                0.43095
                0.588862
            ]
            [
                0.945529
                0.06905
                0.911138
            ]
            [
                0.554471
                0.56905
                0.588862
            ]
            [
                0.054471
                0.93095
                0.911138
            ]
            [
                0.56905
                0.445529
                0.411138
            ]
            [
                0.93095
                0.945529
                0.088862
            ]
            [
                0.43095
                0.554471
                0.411138
            ]
            [
                0.06905
                0.054471
                0.088862
            ]
            [
                0.424166
                0.272595
                0.105483
            ]
            [
                0.924166
                0.227405
                0.394517
            ]
            [
                0.575834
                0.727405
                0.105483
            ]
            [
                0.075834
                0.772595
                0.394517
            ]
            [
                0.727405
                0.424166
                0.894517
            ]
            [
                0.772595
                0.924166
                0.605483
            ]
            [
                0.272595
                0.575834
                0.894517
            ]
            [
                0.227405
                0.075834
                0.605483
            ]
            [
                0.626915
                0.292498
                0.085829
            ]
            [
                0.126915
                0.207502
                0.414171
            ]
            [
                0.373085
                0.707502
                0.085829
            ]
            [
                0.873085
                0.792498
                0.414171
            ]
            [
                0.707502
                0.626915
                0.914171
            ]
            [
                0.792498
                0.126915
                0.585829
            ]
            [
                0.292498
                0.373085
                0.914171
            ]
            [
                0.207502
                0.873085
                0.585829
            ]
            [
                0.529815
                0.387253
                0.237919
            ]
            [
                0.029815
                0.112747
                0.262081
            ]
            [
                0.470185
                0.612747
                0.237919
            ]
            [
                0.970185
                0.887253
                0.262081
            ]
            [
                0.612747
                0.529815
                0.762081
            ]
            [
                0.887253
                0.029815
                0.737919
            ]
            [
                0.387253
                0.470185
                0.762081
            ]
            [
                0.112747
                0.970185
                0.737919
            ]
            [
                0.380562
                0.200422
                0.780358
            ]
            [
                0.880562
                0.299578
                0.719642
            ]
            [
                0.619438
                0.799578
                0.780358
            ]
            [
                0.119438
                0.700422
                0.719642
            ]
            [
                0.799578
                0.380562
                0.219642
            ]
            [
                0.700422
                0.880562
                0.280358
            ]
            [
                0.200422
                0.619438
                0.219642
            ]
            [
                0.299578
                0.119438
                0.280358
            ]
            [
                0.476809
                0.113908
                0.936951
            ]
            [
                0.976809
                0.386092
                0.563049
            ]
            [
                0.523191
                0.886092
                0.936951
            ]
            [
                0.023191
                0.613908
                0.563049
            ]
            [
                0.886092
                0.476809
                0.063049
            ]
            [
                0.613908
                0.976809
                0.436951
            ]
            [
                0.113908
                0.523191
                0.063049
            ]
            [
                0.386092
                0.023191
                0.436951
            ]
            [
                0.282368
                0.157473
                0.95549
            ]
            [
                0.782368
                0.342527
                0.54451
            ]
            [
                0.717632
                0.842527
                0.95549
            ]
            [
                0.217632
                0.657473
                0.54451
            ]
            [
                0.842527
                0.282368
                0.04451
            ]
            [
                0.657473
                0.782368
                0.45549
            ]
            [
                0.157473
                0.717632
                0.04451
            ]
            [
                0.342527
                0.217632
                0.45549
            ]
            [
                0.61468
                0.508189
                0.086493
            ]
            [
                0.11468
                0.991811
                0.413507
            ]
            [
                0.38532
                0.491811
                0.086493
            ]
            [
                0.88532
                0.008189
                0.413507
            ]
            [
                0.491811
                0.61468
                0.913507
            ]
            [
                0.008189
                0.11468
                0.586493
            ]
            [
                0.508189
                0.38532
                0.913507
            ]
            [
                0.991811
                0.88532
                0.586493
            ]
        ]
    }
    "species" {
        "source-value" [
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "As"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "S"
            "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"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 16.72524885
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 16.37425701
        "source-unit" "angstrom"
    }
}