{ "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" [ [ 0.280655 0.258754 0.036166 ] [ 0.719345 0.758754 0.463834 ] [ 0.719345 0.741246 0.963834 ] [ 0.280655 0.241246 0.536166 ] [ 0.206336 0.739961 0.155861 ] [ 0.793664 0.239961 0.344139 ] [ 0.793664 0.260039 0.844139 ] [ 0.206336 0.760039 0.655861 ] [ 0.23958 0.29529 0.28161 ] [ 0.76042 0.79529 0.21839 ] [ 0.76042 0.70471 0.71839 ] [ 0.23958 0.20471 0.78161 ] [ 0.998914 0.504817 0.359672 ] [ 0.001086 0.004817 0.140328 ] [ 0.001086 0.495183 0.640328 ] [ 0.998914 0.995183 0.859672 ] [ 0.415629 0.753774 0.078368 ] [ 0.584371 0.253774 0.421632 ] [ 0.584371 0.246226 0.921632 ] [ 0.415629 0.746226 0.578368 ] [ 0.024909 0.996134 0.367674 ] [ 0.975091 0.496134 0.132326 ] [ 0.975091 0.003866 0.632326 ] [ 0.024909 0.503866 0.867674 ] [ 0.415684 0.678961 0.282755 ] [ 0.584316 0.178961 0.217245 ] [ 0.584316 0.321039 0.717245 ] [ 0.415684 0.821039 0.782755 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "Bi" "Bi" "Bi" "Bi" "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" 6.65127116 "source-unit" "angstrom" } "b" { "source-value" 6.80733226 "source-unit" "angstrom" } "c" { "source-value" 17.38548326 "source-unit" "angstrom" } "beta" { "source-value" 108.04384073 "source-unit" "degree" } }