{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "Cc"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.095282
                0.649965
                0.074018
            ]
            [
                0.852369
                0.961245
                0.150027
            ]
            [
                0.147515
                0.961453
                0.350005
            ]
            [
                0.906049
                0.64937
                0.425181
            ]
            [
                0.095282
                0.350035
                0.574018
            ]
            [
                0.852369
                0.038755
                0.650027
            ]
            [
                0.147515
                0.038547
                0.850005
            ]
            [
                0.906049
                0.35063
                0.925181
            ]
            [
                0.595282
                0.149965
                0.074018
            ]
            [
                0.352369
                0.461245
                0.150027
            ]
            [
                0.647515
                0.461453
                0.350005
            ]
            [
                0.406049
                0.14937
                0.425181
            ]
            [
                0.595282
                0.850035
                0.574018
            ]
            [
                0.352369
                0.538755
                0.650027
            ]
            [
                0.647515
                0.538547
                0.850005
            ]
            [
                0.406049
                0.85063
                0.925181
            ]
            [
                0.790266
                0.80836
                0.059648
            ]
            [
                0.734735
                0.072823
                0.115489
            ]
            [
                0.965423
                0.284907
                0.140082
            ]
            [
                0.999997
                0.975269
                0.249854
            ]
            [
                0.000308
                0.653945
                0.249354
            ]
            [
                0.047896
                0.286423
                0.350635
            ]
            [
                0.265619
                0.07366
                0.385195
            ]
            [
                0.208462
                0.8087
                0.441598
            ]
            [
                0.790266
                0.19164
                0.559648
            ]
            [
                0.734735
                0.927177
                0.615489
            ]
            [
                0.965423
                0.715093
                0.640082
            ]
            [
                0.000308
                0.346055
                0.749354
            ]
            [
                0.999997
                0.024731
                0.749854
            ]
            [
                0.047896
                0.713577
                0.850635
            ]
            [
                0.265619
                0.92634
                0.885195
            ]
            [
                0.208462
                0.1913
                0.941598
            ]
            [
                0.290266
                0.30836
                0.059648
            ]
            [
                0.234735
                0.572823
                0.115489
            ]
            [
                0.465423
                0.784907
                0.140082
            ]
            [
                0.499997
                0.475269
                0.249854
            ]
            [
                0.500308
                0.153945
                0.249354
            ]
            [
                0.547896
                0.786423
                0.350635
            ]
            [
                0.765619
                0.57366
                0.385195
            ]
            [
                0.708462
                0.3087
                0.441598
            ]
            [
                0.290266
                0.69164
                0.559648
            ]
            [
                0.234735
                0.427177
                0.615489
            ]
            [
                0.465423
                0.215093
                0.640082
            ]
            [
                0.500308
                0.846055
                0.749354
            ]
            [
                0.499997
                0.524731
                0.749854
            ]
            [
                0.547896
                0.213577
                0.850635
            ]
            [
                0.765619
                0.42634
                0.885195
            ]
            [
                0.708462
                0.6913
                0.941598
            ]
            [
                0.786905
                0.028199
                0.004826
            ]
            [
                0.93706
                0.223773
                0.010198
            ]
            [
                0.872172
                0.859013
                0.02034
            ]
            [
                0.949804
                0.03526
                0.127147
            ]
            [
                0.712254
                0.185294
                0.092109
            ]
            [
                0.290183
                0.18766
                0.066344
            ]
            [
                0.641618
                0.026039
                0.111543
            ]
            [
                0.990926
                0.593787
                0.112287
            ]
            [
                0.937378
                0.392781
                0.110723
            ]
            [
                0.770546
                0.860683
                0.190436
            ]
            [
                0.074951
                0.91306
                0.200326
            ]
            [
                0.06875
                0.26114
                0.196907
            ]
            [
                0.793853
                0.046427
                0.252994
            ]
            [
                0.085207
                0.71513
                0.237634
            ]
            [
                0.914078
                0.712888
                0.259576
            ]
            [
                0.206201
                0.047251
                0.247764
            ]
            [
                0.939906
                0.255629
                0.309216
            ]
            [
                0.925067
                0.912785
                0.29914
            ]
            [
                0.227612
                0.860395
                0.309695
            ]
            [
                0.892517
                0.334833
                0.368906
            ]
            [
                0.065225
                0.394831
                0.388981
            ]
            [
                0.010968
                0.595472
                0.388569
            ]
            [
                0.358353
                0.026146
                0.388412
            ]
            [
                0.707008
                0.18799
                0.437283
            ]
            [
                0.288836
                0.186135
                0.408495
            ]
            [
                0.049864
                0.035062
                0.372921
            ]
            [
                0.786905
                0.971801
                0.504826
            ]
            [
                0.126592
                0.85975
                0.480077
            ]
            [
                0.07617
                0.223747
                0.479301
            ]
            [
                0.93706
                0.776227
                0.510198
            ]
            [
                0.872172
                0.140987
                0.52034
            ]
            [
                0.213477
                0.02816
                0.495361
            ]
            [
                0.949804
                0.96474
                0.627147
            ]
            [
                0.712254
                0.814706
                0.592109
            ]
            [
                0.290183
                0.81234
                0.566344
            ]
            [
                0.641618
                0.973961
                0.611543
            ]
            [
                0.990926
                0.406213
                0.612287
            ]
            [
                0.937378
                0.607219
                0.610723
            ]
            [
                0.770546
                0.139317
                0.690436
            ]
            [
                0.074951
                0.08694
                0.700326
            ]
            [
                0.06875
                0.73886
                0.696907
            ]
            [
                0.793853
                0.953573
                0.752994
            ]
            [
                0.085207
                0.28487
                0.737634
            ]
            [
                0.914078
                0.287112
                0.759576
            ]
            [
                0.206201
                0.952749
                0.747764
            ]
            [
                0.939906
                0.744371
                0.809216
            ]
            [
                0.925067
                0.087215
                0.79914
            ]
            [
                0.227612
                0.139605
                0.809695
            ]
            [
                0.892517
                0.665167
                0.868906
            ]
            [
                0.065225
                0.605169
                0.888981
            ]
            [
                0.010968
                0.404528
                0.888569
            ]
            [
                0.358353
                0.973854
                0.888412
            ]
            [
                0.707008
                0.81201
                0.937283
            ]
            [
                0.288836
                0.813865
                0.908495
            ]
            [
                0.049864
                0.964938
                0.872921
            ]
            [
                0.126592
                0.14025
                0.980077
            ]
            [
                0.07617
                0.776253
                0.979301
            ]
            [
                0.213477
                0.97184
                0.995361
            ]
            [
                0.286905
                0.528199
                0.004826
            ]
            [
                0.43706
                0.723773
                0.010198
            ]
            [
                0.372172
                0.359013
                0.02034
            ]
            [
                0.449804
                0.53526
                0.127147
            ]
            [
                0.212254
                0.685294
                0.092109
            ]
            [
                0.790183
                0.68766
                0.066344
            ]
            [
                0.141618
                0.526039
                0.111543
            ]
            [
                0.490926
                0.093787
                0.112287
            ]
            [
                0.437378
                0.892781
                0.110723
            ]
            [
                0.270546
                0.360683
                0.190436
            ]
            [
                0.574951
                0.41306
                0.200326
            ]
            [
                0.56875
                0.76114
                0.196907
            ]
            [
                0.293853
                0.546427
                0.252994
            ]
            [
                0.585207
                0.21513
                0.237634
            ]
            [
                0.414078
                0.212888
                0.259576
            ]
            [
                0.706201
                0.547251
                0.247764
            ]
            [
                0.439906
                0.755629
                0.309216
            ]
            [
                0.425067
                0.412785
                0.29914
            ]
            [
                0.727612
                0.360395
                0.309695
            ]
            [
                0.392517
                0.834833
                0.368906
            ]
            [
                0.565225
                0.894831
                0.388981
            ]
            [
                0.510968
                0.095472
                0.388569
            ]
            [
                0.858353
                0.526146
                0.388412
            ]
            [
                0.207008
                0.68799
                0.437283
            ]
            [
                0.788836
                0.686135
                0.408495
            ]
            [
                0.549864
                0.535062
                0.372921
            ]
            [
                0.286905
                0.471801
                0.504826
            ]
            [
                0.626592
                0.35975
                0.480077
            ]
            [
                0.57617
                0.723747
                0.479301
            ]
            [
                0.43706
                0.276227
                0.510198
            ]
            [
                0.372172
                0.640987
                0.52034
            ]
            [
                0.713477
                0.52816
                0.495361
            ]
            [
                0.449804
                0.46474
                0.627147
            ]
            [
                0.212254
                0.314706
                0.592109
            ]
            [
                0.790183
                0.31234
                0.566344
            ]
            [
                0.141618
                0.473961
                0.611543
            ]
            [
                0.490926
                0.906213
                0.612287
            ]
            [
                0.437378
                0.107219
                0.610723
            ]
            [
                0.270546
                0.639317
                0.690436
            ]
            [
                0.574951
                0.58694
                0.700326
            ]
            [
                0.56875
                0.23886
                0.696907
            ]
            [
                0.293853
                0.453573
                0.752994
            ]
            [
                0.585207
                0.78487
                0.737634
            ]
            [
                0.414078
                0.787112
                0.759576
            ]
            [
                0.706201
                0.452749
                0.747764
            ]
            [
                0.439906
                0.244371
                0.809216
            ]
            [
                0.425067
                0.587215
                0.79914
            ]
            [
                0.727612
                0.639605
                0.809695
            ]
            [
                0.392517
                0.165167
                0.868906
            ]
            [
                0.565225
                0.105169
                0.888981
            ]
            [
                0.510968
                0.904528
                0.888569
            ]
            [
                0.858353
                0.473854
                0.888412
            ]
            [
                0.207008
                0.31201
                0.937283
            ]
            [
                0.788836
                0.313865
                0.908495
            ]
            [
                0.549864
                0.464938
                0.872921
            ]
            [
                0.626592
                0.64025
                0.980077
            ]
            [
                0.57617
                0.276253
                0.979301
            ]
            [
                0.713477
                0.47184
                0.995361
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "Ti"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "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"
            "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"
            "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"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 20.3033892
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 17.65350432
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 12.89469601
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 98.01668959
        "source-unit" "degree"
    }
}