{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0.65481 0.827405 0.400638 ] [ 0.321476 0.160738 0.733972 ] [ 0.988143 0.494071 0.067305 ] [ 0.172595 0.34519 0.400638 ] [ 0.839262 0.678524 0.733972 ] [ 0.505929 0.011857 0.067305 ] [ 0.172595 0.827405 0.400638 ] [ 0.839262 0.160738 0.733972 ] [ 0.505929 0.494071 0.067305 ] [ 0 0 0.177139 ] [ 0.666667 0.333333 0.510472 ] [ 0.333333 0.666667 0.843806 ] [ 0 0 0.960203 ] [ 0.666667 0.333333 0.293536 ] [ 0.333333 0.666667 0.626869 ] [ 0 0 0.843087 ] [ 0.666667 0.333333 0.176421 ] [ 0.333333 0.666667 0.509754 ] [ 0.791981 0.208019 0.336431 ] [ 0.458648 0.541352 0.669764 ] [ 0.125314 0.874686 0.003098 ] [ 0.791981 0.583962 0.336431 ] [ 0.458648 0.917295 0.669764 ] [ 0.125314 0.250629 0.003098 ] [ 0.416038 0.208019 0.336431 ] [ 0.082705 0.541352 0.669764 ] [ 0.749371 0.874686 0.003098 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 6.25654852131 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }