{ "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" [ [ 0.734874 0.909194 0.395659 ] [ 0.765126 0.409194 0.104341 ] [ 0.265126 0.090806 0.604341 ] [ 0.234874 0.590806 0.895659 ] [ 0.714758 0.189772 0.583314 ] [ 0.785242 0.689772 0.916686 ] [ 0.285242 0.810228 0.416686 ] [ 0.214758 0.310228 0.083314 ] [ 0.84937 0.622879 0.474199 ] [ 0.65063 0.122879 0.025801 ] [ 0.15063 0.377121 0.525801 ] [ 0.34937 0.877121 0.974199 ] [ 0.901727 0.938893 0.835165 ] [ 0.598273 0.438893 0.664835 ] [ 0.098273 0.061107 0.164835 ] [ 0.401727 0.561107 0.335165 ] [ 0.534813 0.391351 0.375315 ] [ 0.965187 0.891351 0.124685 ] [ 0.465187 0.608649 0.624685 ] [ 0.034813 0.108649 0.875315 ] [ 0.538189 0.67955 0.186985 ] [ 0.961811 0.17955 0.313015 ] [ 0.461811 0.32045 0.813015 ] [ 0.038189 0.82045 0.686985 ] [ 0.106608 0.548035 0.234869 ] [ 0.393392 0.048035 0.265131 ] [ 0.893392 0.451965 0.765131 ] [ 0.606608 0.951965 0.734869 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "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" 8.1774836151 "source-unit" "angstrom" } "b" { "source-value" 13.19288155 "source-unit" "angstrom" } "c" { "source-value" 8.5980274307 "source-unit" "angstrom" } "beta" { "source-value" 101.1201305 "source-unit" "degree" } }