{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.911549 0.915882 0.996103 ] [ 0.423157 0.750655 0.999061 ] [ 0.911549 0.084118 0.496103 ] [ 0.923157 0.749345 0.499061 ] [ 0.411549 0.415882 0.996103 ] [ 0.923157 0.250655 0.999061 ] [ 0.411549 0.584118 0.496103 ] [ 0.423157 0.249345 0.499061 ] [ 0.430571 0.086279 0.0126 ] [ 0.430571 0.913721 0.5126 ] [ 0.930571 0.586279 0.0126 ] [ 0.930571 0.413721 0.5126 ] [ 0.289823 0.916223 0.125571 ] [ 0.799579 0.08478 0.122904 ] [ 0.799579 0.91522 0.622904 ] [ 0.795077 0.748888 0.127325 ] [ 0.289823 0.083777 0.625571 ] [ 0.295077 0.751112 0.627325 ] [ 0.789823 0.416223 0.125571 ] [ 0.299579 0.58478 0.122904 ] [ 0.299579 0.41522 0.622904 ] [ 0.295077 0.248888 0.127325 ] [ 0.789823 0.583777 0.625571 ] [ 0.795077 0.251112 0.627325 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29605623 "source-unit" "angstrom" } "b" { "source-value" 12.67217889 "source-unit" "angstrom" } "c" { "source-value" 7.30720829 "source-unit" "angstrom" } "beta" { "source-value" 109.16261169 "source-unit" "degree" } }