{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fddd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.994057 ] [ 0.5 0 0.922318 ] [ 0.25 0.25 0.827682 ] [ 0.5 0 0.755943 ] [ 0.5 0 0.244057 ] [ 0.75 0.25 0.172318 ] [ 0.5 0 0.077682 ] [ 0.75 0.25 0.005943 ] [ 0.25 0.75 0.494057 ] [ 0.5 0.5 0.422318 ] [ 0.25 0.75 0.327682 ] [ 0.5 0.5 0.255943 ] [ 0.5 0.5 0.744057 ] [ 0.75 0.75 0.672318 ] [ 0.5 0.5 0.577682 ] [ 0.75 0.75 0.505943 ] [ 0.75 0.25 0.494057 ] [ 0 0 0.422318 ] [ 0.75 0.25 0.327682 ] [ 0 0 0.255943 ] [ 0 0 0.744057 ] [ 0.25 0.25 0.672318 ] [ 0 0 0.577682 ] [ 0.25 0.25 0.505943 ] [ 0.75 0.75 0.994057 ] [ 0 0.5 0.922318 ] [ 0.75 0.75 0.827682 ] [ 0 0.5 0.755943 ] [ 0 0.5 0.244057 ] [ 0.25 0.75 0.172318 ] [ 0 0.5 0.077682 ] [ 0.25 0.75 0.005943 ] [ 0 0 0.91379 ] [ 0.25 0.75 0.83621 ] [ 0.75 0.75 0.16379 ] [ 0 0 0.08621 ] [ 0 0.5 0.41379 ] [ 0.25 0.25 0.33621 ] [ 0.75 0.25 0.66379 ] [ 0 0.5 0.58621 ] [ 0.5 0 0.41379 ] [ 0.75 0.75 0.33621 ] [ 0.25 0.75 0.66379 ] [ 0.5 0 0.58621 ] [ 0.5 0.5 0.91379 ] [ 0.75 0.25 0.83621 ] [ 0.25 0.25 0.16379 ] [ 0.5 0.5 0.08621 ] [ 0.027283 0.773874 0.904965 ] [ 0.972717 0.226126 0.904965 ] [ 0.222717 0.976126 0.845035 ] [ 0.777283 0.023874 0.845035 ] [ 0.059905 0.75 0.75 ] [ 0.940095 0.75 0.25 ] [ 0.222717 0.023874 0.154965 ] [ 0.777283 0.976126 0.154965 ] [ 0.027283 0.226126 0.095035 ] [ 0.972717 0.773874 0.095035 ] [ 0.190095 0 0 ] [ 0.809905 0 0 ] [ 0.027283 0.273874 0.404965 ] [ 0.972717 0.726126 0.404965 ] [ 0.222717 0.476126 0.345035 ] [ 0.777283 0.523874 0.345035 ] [ 0.059905 0.25 0.25 ] [ 0.940095 0.25 0.75 ] [ 0.222717 0.523874 0.654965 ] [ 0.777283 0.476126 0.654965 ] [ 0.027283 0.726126 0.595035 ] [ 0.972717 0.273874 0.595035 ] [ 0.190095 0.5 0.5 ] [ 0.809905 0.5 0.5 ] [ 0.527283 0.773874 0.404965 ] [ 0.472717 0.226126 0.404965 ] [ 0.722717 0.976126 0.345035 ] [ 0.277283 0.023874 0.345035 ] [ 0.559905 0.75 0.25 ] [ 0.440095 0.75 0.75 ] [ 0.722717 0.023874 0.654965 ] [ 0.277283 0.976126 0.654965 ] [ 0.527283 0.226126 0.595035 ] [ 0.472717 0.773874 0.595035 ] [ 0.690095 0 0.5 ] [ 0.309905 0 0.5 ] [ 0.527283 0.273874 0.904965 ] [ 0.472717 0.726126 0.904965 ] [ 0.722717 0.476126 0.845035 ] [ 0.277283 0.523874 0.845035 ] [ 0.559905 0.25 0.75 ] [ 0.440095 0.25 0.25 ] [ 0.722717 0.523874 0.154965 ] [ 0.277283 0.476126 0.154965 ] [ 0.527283 0.726126 0.095035 ] [ 0.472717 0.273874 0.095035 ] [ 0.690095 0.5 0 ] [ 0.309905 0.5 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.31734246 "source-unit" "angstrom" } "b" { "source-value" 8.77396357 "source-unit" "angstrom" } "c" { "source-value" 17.85924883 "source-unit" "angstrom" } }