{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.105236 0.688073 0.167047 ] [ 0.894764 0.188073 0.332953 ] [ 0.894764 0.311927 0.832953 ] [ 0.105236 0.811927 0.667047 ] [ 0.3391 0.300014 0.554194 ] [ 0.6609 0.800014 0.945806 ] [ 0.6609 0.699986 0.445806 ] [ 0.3391 0.199986 0.054194 ] [ 0.404595 0.261411 0.798599 ] [ 0.595405 0.761411 0.701401 ] [ 0.595405 0.738589 0.201401 ] [ 0.404595 0.238589 0.298599 ] [ 0.820865 0.245619 0.090494 ] [ 0.179135 0.745619 0.409506 ] [ 0.179135 0.754381 0.909506 ] [ 0.820865 0.254381 0.590494 ] [ 0.973385 0.197409 0.520297 ] [ 0.026615 0.697409 0.979703 ] [ 0.026615 0.802591 0.479703 ] [ 0.973385 0.302591 0.020297 ] [ 0.751241 0.956976 0.596366 ] [ 0.248759 0.456976 0.903634 ] [ 0.248759 0.043024 0.403634 ] [ 0.751241 0.543024 0.096366 ] [ 0.669395 0.349949 0.669024 ] [ 0.330605 0.849949 0.830976 ] [ 0.330605 0.650051 0.330976 ] [ 0.669395 0.150051 0.169024 ] [ 0.878299 0.550051 0.588823 ] [ 0.121701 0.050051 0.911177 ] [ 0.121701 0.449949 0.411177 ] [ 0.878299 0.949949 0.088823 ] [ 0.684859 0.469657 0.327041 ] [ 0.315141 0.969657 0.172959 ] [ 0.315141 0.530343 0.672959 ] [ 0.684859 0.030343 0.827041 ] [ 0.352756 0.469636 0.159396 ] [ 0.647244 0.969636 0.340604 ] [ 0.647244 0.530364 0.840604 ] [ 0.352756 0.030364 0.659396 ] [ 0.589478 0.197794 0.982056 ] [ 0.410522 0.697794 0.517944 ] [ 0.410522 0.802206 0.017944 ] [ 0.589478 0.302206 0.482056 ] [ 0.029624 0.294647 0.211047 ] [ 0.970376 0.794647 0.288953 ] [ 0.970376 0.705353 0.788953 ] [ 0.029624 0.205353 0.711047 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Re" "Re" "Re" "Re" "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" 7.4198807 "source-unit" "angstrom" } "b" { "source-value" 6.15026403 "source-unit" "angstrom" } "c" { "source-value" 14.8397277 "source-unit" "angstrom" } "beta" { "source-value" 111.05915501 "source-unit" "degree" } }