{ "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" [ [ 0.879297 0.793309 0.372972 ] [ 0.120703 0.293309 0.127028 ] [ 0.120703 0.206691 0.627028 ] [ 0.879297 0.706691 0.872972 ] [ 0.617975 0.285494 0.626042 ] [ 0.382025 0.785494 0.873958 ] [ 0.382025 0.714506 0.373958 ] [ 0.617975 0.214506 0.126042 ] [ 0.730347 0.032229 0.513133 ] [ 0.269653 0.532229 0.986867 ] [ 0.269653 0.967771 0.486867 ] [ 0.730347 0.467771 0.013133 ] [ 0.774038 0.986415 0.970746 ] [ 0.225962 0.486415 0.529254 ] [ 0.225962 0.013585 0.029254 ] [ 0.774038 0.513585 0.470746 ] [ 0.474176 0.098212 0.777251 ] [ 0.525824 0.598212 0.722749 ] [ 0.525824 0.901788 0.222749 ] [ 0.474176 0.401788 0.277251 ] [ 0.006592 0.897415 0.754136 ] [ 0.993408 0.397415 0.745864 ] [ 0.993408 0.102585 0.245864 ] [ 0.006592 0.602585 0.254136 ] [ 0.035141 0.874537 0.970155 ] [ 0.964859 0.374537 0.529845 ] [ 0.964859 0.125463 0.029845 ] [ 0.035141 0.625463 0.470155 ] [ 0.942773 0.981907 0.252825 ] [ 0.057227 0.481907 0.247175 ] [ 0.057227 0.018093 0.747175 ] [ 0.942773 0.518093 0.752825 ] [ 0.46213 0.976392 0.82114 ] [ 0.53787 0.476392 0.67886 ] [ 0.53787 0.023608 0.17886 ] [ 0.46213 0.523608 0.32114 ] [ 0.691135 0.13088 0.827156 ] [ 0.308865 0.63088 0.672844 ] [ 0.308865 0.86912 0.172844 ] [ 0.691135 0.36912 0.327156 ] [ 0.780893 0.885303 0.721708 ] [ 0.219107 0.385303 0.778292 ] [ 0.219107 0.114697 0.278292 ] [ 0.780893 0.614697 0.221708 ] [ 0.125703 0.81993 0.633851 ] [ 0.874297 0.31993 0.866149 ] [ 0.874297 0.18007 0.366149 ] [ 0.125703 0.68007 0.133851 ] [ 0.429381 0.125852 0.570808 ] [ 0.570619 0.625852 0.929192 ] [ 0.570619 0.874148 0.429192 ] [ 0.429381 0.374148 0.070808 ] [ 0.669672 0.841759 0.090352 ] [ 0.330328 0.341759 0.409648 ] [ 0.330328 0.158241 0.909648 ] [ 0.669672 0.658241 0.590352 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "La" "La" "La" "La" "P" "P" "P" "P" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.67543618913 "source-unit" "angstrom" } "b" { "source-value" 18.07729114 "source-unit" "angstrom" } "c" { "source-value" 10.1608689271 "source-unit" "angstrom" } "beta" { "source-value" 90.4667060801 "source-unit" "degree" } }