{ "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" [ [ 0.758833 0.755081 0.464684 ] [ 0.241167 0.244919 0.535316 ] [ 0.258833 0.744919 0.964684 ] [ 0.741167 0.255081 0.035316 ] [ 0.46332 0.778281 0.66201 ] [ 0.96332 0.721719 0.16201 ] [ 0.03668 0.278281 0.83799 ] [ 0.53668 0.221719 0.33799 ] [ 0.036499 0.306585 0.27562 ] [ 0.463501 0.806585 0.22438 ] [ 0.963501 0.693415 0.72438 ] [ 0.536499 0.193415 0.77562 ] [ 0.341725 0.975887 0.361431 ] [ 0.685707 0.755131 0.094019 ] [ 0.655229 0.519121 0.651545 ] [ 0.869122 0.660622 0.278786 ] [ 0.841725 0.524113 0.861431 ] [ 0.814293 0.255131 0.405981 ] [ 0.185707 0.744869 0.594019 ] [ 0.630878 0.160622 0.221214 ] [ 0.314293 0.244869 0.905981 ] [ 0.658275 0.024113 0.638569 ] [ 0.369122 0.839378 0.778786 ] [ 0.130878 0.339378 0.721214 ] [ 0.158275 0.475887 0.138569 ] [ 0.344771 0.480879 0.348455 ] [ 0.155229 0.980879 0.151545 ] [ 0.844771 0.019121 0.848455 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "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" 6.70322707231 "source-unit" "angstrom" } "b" { "source-value" 7.03109639 "source-unit" "angstrom" } "c" { "source-value" 18.1282527521 "source-unit" "angstrom" } "beta" { "source-value" 91.2329751552 "source-unit" "degree" } }