{ "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" [ [ 0.5 0.726971 0.5 ] [ 0 0.773029 0.5 ] [ 0.228414 0 0.245294 ] [ 0.771586 0 0.754706 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0 0.226971 0.5 ] [ 0.5 0.273029 0.5 ] [ 0.728414 0.5 0.245294 ] [ 0.271586 0.5 0.754706 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.01644 0.5 0.732216 ] [ 0.98356 0.5 0.267784 ] [ 0.993366 0 0.244045 ] [ 0.006634 0 0.755955 ] [ 0.51644 0 0.732216 ] [ 0.48356 0 0.267784 ] [ 0.493366 0.5 0.244045 ] [ 0.506634 0.5 0.755955 ] [ 0.21831 0.718891 0.24376 ] [ 0.78169 0.718891 0.75624 ] [ 0.78169 0.281109 0.75624 ] [ 0.21831 0.281109 0.24376 ] [ 0.71831 0.218891 0.24376 ] [ 0.28169 0.218891 0.75624 ] [ 0.28169 0.781109 0.75624 ] [ 0.71831 0.781109 0.24376 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 11.8843338718 "source-unit" "angstrom" } "b" { "source-value" 8.22050251955 "source-unit" "angstrom" } "c" { "source-value" 8.24345537628 "source-unit" "angstrom" } "beta" { "source-value" 136.88443651 "source-unit" "degree" } }