{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.789231 0 0.317343 ] [ 0.210769 0 0.682657 ] [ 0 0.663025 0.5 ] [ 0 0.336975 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.289231 0.5 0.317343 ] [ 0.710769 0.5 0.682657 ] [ 0.5 0.163025 0.5 ] [ 0.5 0.836975 0.5 ] [ 0.883579 0 0.848295 ] [ 0.116421 0 0.151705 ] [ 0.383579 0.5 0.848295 ] [ 0.616421 0.5 0.151705 ] [ 0.630462 0 0.866816 ] [ 0.369538 0 0.133184 ] [ 0.900888 0.850532 0.697595 ] [ 0.099112 0.850532 0.302405 ] [ 0.099112 0.149468 0.302405 ] [ 0.900888 0.149468 0.697595 ] [ 0.130462 0.5 0.866816 ] [ 0.869538 0.5 0.133184 ] [ 0.400888 0.350532 0.697595 ] [ 0.599112 0.350532 0.302405 ] [ 0.599112 0.649468 0.302405 ] [ 0.400888 0.649468 0.697595 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "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" 9.19249594802 "source-unit" "angstrom" } "b" { "source-value" 13.1026285326 "source-unit" "angstrom" } "c" { "source-value" 8.59253491934 "source-unit" "angstrom" } "beta" { "source-value" 116.826210003 "source-unit" "degree" } }