{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "P2_12_12_1"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0.992549
                0.552509
                0.332012
            ]
            [
                0.924019
                0.033395
                0.434572
            ]
            [
                0.575981
                0.966605
                0.934572
            ]
            [
                0.007451
                0.052509
                0.167988
            ]
            [
                0.507451
                0.447491
                0.832012
            ]
            [
                0.424019
                0.466605
                0.565428
            ]
            [
                0.560307
                0.510199
                0.092263
            ]
            [
                0.492549
                0.947491
                0.667988
            ]
            [
                0.439693
                0.010199
                0.407737
            ]
            [
                0.075981
                0.533395
                0.065428
            ]
            [
                0.060307
                0.989801
                0.907737
            ]
            [
                0.939693
                0.489801
                0.592263
            ]
            [
                0.351068
                0.94753
                0.218021
            ]
            [
                0.851068
                0.55247
                0.78198
            ]
            [
                0.148932
                0.05247
                0.71802
            ]
            [
                0.579257
                0.0882
                0.132635
            ]
            [
                0.648932
                0.44753
                0.281979
            ]
            [
                0.420743
                0.5882
                0.367365
            ]
            [
                0.079257
                0.4118
                0.867365
            ]
            [
                0.920743
                0.9118
                0.632635
            ]
            [
                0.284561
                0.720362
                0.248691
            ]
            [
                0.785865
                0.806915
                0.251374
            ]
            [
                0.215439
                0.279638
                0.748691
            ]
            [
                0.282987
                0.794795
                0.001227
            ]
            [
                0.784561
                0.779638
                0.751309
            ]
            [
                0.714821
                0.294582
                0.99865
            ]
            [
                0.717013
                0.294795
                0.498773
            ]
            [
                0.214821
                0.205418
                0.00135
            ]
            [
                0.217013
                0.205205
                0.501227
            ]
            [
                0.782987
                0.705205
                0.998773
            ]
            [
                0.214135
                0.306915
                0.248626
            ]
            [
                0.714135
                0.193085
                0.751374
            ]
            [
                0.285179
                0.794582
                0.50135
            ]
            [
                0.785179
                0.705418
                0.49865
            ]
            [
                0.715439
                0.220362
                0.251309
            ]
            [
                0.285865
                0.693085
                0.748626
            ]
            [
                0.187638
                0.995146
                0.557777
            ]
            [
                0.029152
                0.774445
                0.376863
            ]
            [
                0.461605
                0.246385
                0.374592
            ]
            [
                0.687638
                0.504854
                0.442223
            ]
            [
                0.812362
                0.495146
                0.942223
            ]
            [
                0.464253
                0.241167
                0.625533
            ]
            [
                0.46724
                0.270907
                0.124687
            ]
            [
                0.178563
                0.49158
                0.730953
            ]
            [
                0.964253
                0.258833
                0.374467
            ]
            [
                0.321437
                0.50842
                0.230953
            ]
            [
                0.529152
                0.725555
                0.623137
            ]
            [
                0.038395
                0.753615
                0.874592
            ]
            [
                0.678563
                0.00842
                0.269047
            ]
            [
                0.470848
                0.225555
                0.876863
            ]
            [
                0.96724
                0.229093
                0.875313
            ]
            [
                0.035747
                0.758833
                0.125533
            ]
            [
                0.312362
                0.004854
                0.057777
            ]
            [
                0.53276
                0.770907
                0.375313
            ]
            [
                0.03276
                0.729093
                0.624687
            ]
            [
                0.535747
                0.741167
                0.874467
            ]
            [
                0.821437
                0.99158
                0.769047
            ]
            [
                0.970848
                0.274445
                0.123137
            ]
            [
                0.538395
                0.746385
                0.125408
            ]
            [
                0.961605
                0.253615
                0.625408
            ]
            [
                0.837732
                0.505949
                0.187798
            ]
            [
                0.162268
                0.005949
                0.312202
            ]
            [
                0.836044
                0.00392
                0.0355
            ]
            [
                0.663956
                0.99608
                0.5355
            ]
            [
                0.336044
                0.49608
                0.9645
            ]
            [
                0.337732
                0.994051
                0.812202
            ]
            [
                0.163956
                0.50392
                0.4645
            ]
            [
                0.662268
                0.494051
                0.687798
            ]
            [
                0.450416
                0.684311
                0.822822
            ]
            [
                0.439014
                0.80104
                0.920146
            ]
            [
                0.302394
                0.690715
                0.479744
            ]
            [
                0.796868
                0.980249
                0.850677
            ]
            [
                0.874684
                0.316878
                0.577685
            ]
            [
                0.945213
                0.705946
                0.419683
            ]
            [
                0.703132
                0.019751
                0.350677
            ]
            [
                0.56619
                0.208403
                0.166415
            ]
            [
                0.440988
                0.830901
                0.423297
            ]
            [
                0.127632
                0.826438
                0.426892
            ]
            [
                0.624688
                0.682638
                0.923275
            ]
            [
                0.259552
                0.688273
                0.006736
            ]
            [
                0.864957
                0.197363
                0.331426
            ]
            [
                0.639815
                0.803522
                0.168345
            ]
            [
                0.479419
                0.495699
                0.248408
            ]
            [
                0.625316
                0.683122
                0.077685
            ]
            [
                0.53134
                0.533378
                0.44227
            ]
            [
                0.21905
                0.439001
                0.261444
            ]
            [
                0.197852
                0.200831
                0.232191
            ]
            [
                0.875312
                0.317362
                0.423275
            ]
            [
                0.054787
                0.205946
                0.080317
            ]
            [
                0.940988
                0.669099
                0.576703
            ]
            [
                0.560986
                0.30104
                0.579854
            ]
            [
                0.291328
                0.926631
                0.52439
            ]
            [
                0.694011
                0.327093
                0.260274
            ]
            [
                0.298864
                0.9292
                0.001453
            ]
            [
                0.444156
                0.803613
                0.077467
            ]
            [
                0.135043
                0.697363
                0.168574
            ]
            [
                0.072312
                0.335695
                0.162518
            ]
            [
                0.124688
                0.817362
                0.076725
            ]
            [
                0.798864
                0.5708
                0.998547
            ]
            [
                0.791327
                0.573369
                0.47561
            ]
            [
                0.697852
                0.299169
                0.767809
            ]
            [
                0.572312
                0.164305
                0.837482
            ]
            [
                0.78095
                0.939001
                0.238556
            ]
            [
                0.860185
                0.196478
                0.668345
            ]
            [
                0.06619
                0.291597
                0.833585
            ]
            [
                0.805989
                0.672907
                0.760274
            ]
            [
                0.882478
                0.172955
                0.822876
            ]
            [
                0.927688
                0.835695
                0.337482
            ]
            [
                0.375312
                0.182638
                0.576725
            ]
            [
                0.43381
                0.708403
                0.333585
            ]
            [
                0.445213
                0.794054
                0.580317
            ]
            [
                0.617848
                0.778958
                0.678001
            ]
            [
                0.125316
                0.816878
                0.922315
            ]
            [
                0.059012
                0.169099
                0.923297
            ]
            [
                0.520581
                0.995699
                0.251592
            ]
            [
                0.055844
                0.196387
                0.577467
            ]
            [
                0.139815
                0.696478
                0.831655
            ]
            [
                0.979419
                0.004301
                0.751592
            ]
            [
                0.244436
                0.018414
                0.632704
            ]
            [
                0.296868
                0.519751
                0.149323
            ]
            [
                0.117522
                0.672955
                0.677124
            ]
            [
                0.93381
                0.791597
                0.666415
            ]
            [
                0.71905
                0.060999
                0.738556
            ]
            [
                0.755564
                0.518414
                0.867296
            ]
            [
                0.427688
                0.664305
                0.662518
            ]
            [
                0.744436
                0.481586
                0.367296
            ]
            [
                0.627632
                0.673562
                0.573108
            ]
            [
                0.945436
                0.80973
                0.824145
            ]
            [
                0.729712
                0.090066
                0.225889
            ]
            [
                0.201136
                0.0708
                0.501453
            ]
            [
                0.203132
                0.480249
                0.649323
            ]
            [
                0.872368
                0.326438
                0.073108
            ]
            [
                0.240448
                0.311727
                0.506736
            ]
            [
                0.708673
                0.426631
                0.97561
            ]
            [
                0.229712
                0.409934
                0.774111
            ]
            [
                0.635043
                0.802637
                0.831426
            ]
            [
                0.03134
                0.966622
                0.55773
            ]
            [
                0.382478
                0.327045
                0.177124
            ]
            [
                0.302148
                0.799169
                0.732191
            ]
            [
                0.364957
                0.302637
                0.668574
            ]
            [
                0.555844
                0.303613
                0.422533
            ]
            [
                0.46866
                0.033378
                0.05773
            ]
            [
                0.802148
                0.700831
                0.267809
            ]
            [
                0.117848
                0.721042
                0.321999
            ]
            [
                0.131584
                0.785447
                0.579042
            ]
            [
                0.270288
                0.590066
                0.274111
            ]
            [
                0.020581
                0.504301
                0.748408
            ]
            [
                0.374684
                0.183122
                0.422315
            ]
            [
                0.944156
                0.696387
                0.922533
            ]
            [
                0.559012
                0.330901
                0.076703
            ]
            [
                0.868416
                0.285447
                0.920958
            ]
            [
                0.054564
                0.30973
                0.675855
            ]
            [
                0.208672
                0.073369
                0.02439
            ]
            [
                0.28095
                0.560999
                0.761444
            ]
            [
                0.802394
                0.809285
                0.520256
            ]
            [
                0.631584
                0.714553
                0.420958
            ]
            [
                0.445436
                0.69027
                0.175855
            ]
            [
                0.360185
                0.303522
                0.331655
            ]
            [
                0.701136
                0.4292
                0.498547
            ]
            [
                0.554564
                0.19027
                0.324145
            ]
            [
                0.194011
                0.172907
                0.739726
            ]
            [
                0.372368
                0.173562
                0.926892
            ]
            [
                0.770288
                0.909934
                0.725889
            ]
            [
                0.697606
                0.190715
                0.020256
            ]
            [
                0.305989
                0.827093
                0.239726
            ]
            [
                0.197606
                0.309285
                0.979744
            ]
            [
                0.882152
                0.221042
                0.178001
            ]
            [
                0.255564
                0.981586
                0.132704
            ]
            [
                0.049584
                0.315689
                0.322822
            ]
            [
                0.368416
                0.214553
                0.079042
            ]
            [
                0.759552
                0.811727
                0.993264
            ]
            [
                0.060986
                0.19896
                0.420146
            ]
            [
                0.96866
                0.466622
                0.94227
            ]
            [
                0.382152
                0.278958
                0.821999
            ]
            [
                0.740448
                0.188273
                0.493264
            ]
            [
                0.549584
                0.184311
                0.677178
            ]
            [
                0.939014
                0.69896
                0.079854
            ]
            [
                0.617522
                0.827045
                0.322876
            ]
            [
                0.554787
                0.294054
                0.919683
            ]
            [
                0.950416
                0.815689
                0.177178
            ]
        ]
    }
    "species" {
        "source-value" [
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Ba"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Li"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "Mo"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "P"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "Cl"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 9.33358678
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 15.93138686
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 18.40249898
        "source-unit" "angstrom"
    }
}