{ "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" [ [ 0.328558 0 0.244691 ] [ 0.671442 0 0.755309 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.828558 0.5 0.244691 ] [ 0.171442 0.5 0.755309 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.663432 0 0.248141 ] [ 0.336568 0 0.751859 ] [ 0.163432 0.5 0.248141 ] [ 0.836568 0.5 0.751859 ] [ 0.790343 0 0.176318 ] [ 0.900135 0.288814 0.71613 ] [ 0.099865 0.288814 0.28387 ] [ 0.900135 0.711186 0.71613 ] [ 0.099865 0.711186 0.28387 ] [ 0.209657 0 0.823682 ] [ 0.290343 0.5 0.176318 ] [ 0.400135 0.788814 0.71613 ] [ 0.599865 0.788814 0.28387 ] [ 0.400135 0.211186 0.71613 ] [ 0.599865 0.211186 0.28387 ] [ 0.709657 0.5 0.823682 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.9683853941 "source-unit" "angstrom" } "b" { "source-value" 5.32718169 "source-unit" "angstrom" } "c" { "source-value" 6.16542976136 "source-unit" "angstrom" } "beta" { "source-value" 101.672618412 "source-unit" "degree" } }