{ "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" [ [ 0.250151 0.922535 0.86726 ] [ 0.749849 0.422535 0.63274 ] [ 0.749849 0.077465 0.13274 ] [ 0.250151 0.577465 0.36726 ] [ 0.198252 0.075711 0.03972 ] [ 0.801748 0.575711 0.46028 ] [ 0.801748 0.924289 0.96028 ] [ 0.198252 0.424289 0.53972 ] [ 0.073275 0.577395 0.19604 ] [ 0.926725 0.077395 0.30396 ] [ 0.926725 0.422605 0.80396 ] [ 0.073275 0.922605 0.69604 ] [ 0.310811 0.883856 0.423288 ] [ 0.689189 0.383856 0.076712 ] [ 0.689189 0.116144 0.576712 ] [ 0.310811 0.616144 0.923288 ] [ 0.418231 0.421429 0.307132 ] [ 0.581769 0.921429 0.192868 ] [ 0.581769 0.578571 0.692868 ] [ 0.418231 0.078571 0.807132 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.4138811115 "source-unit" "angstrom" } "b" { "source-value" 7.62487724 "source-unit" "angstrom" } "c" { "source-value" 11.4609466754 "source-unit" "angstrom" } "beta" { "source-value" 102.920032546 "source-unit" "degree" } }