{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.1118 0.253647 ] [ 0 0.8882 0.753647 ] [ 0.5 0.479107 0.550423 ] [ 0.5 0.520893 0.050423 ] [ 0.5 0.96398 0.076751 ] [ 0.5 0.03602 0.576751 ] [ 0 0.5877 0.338324 ] [ 0 0.4123 0.838324 ] [ 0.789382 0.493369 0.296893 ] [ 0.289129 0.865343 0.050243 ] [ 0.789382 0.506631 0.796893 ] [ 0.210618 0.493369 0.296893 ] [ 0 0.758684 0.422825 ] [ 0.710871 0.865343 0.050243 ] [ 0.710871 0.134657 0.550243 ] [ 0.5 0.151065 0.137757 ] [ 0.210618 0.506631 0.796893 ] [ 0 0.241316 0.922825 ] [ 0.5 0.848935 0.637757 ] [ 0.289129 0.134657 0.550243 ] ] } "species" { "source-value" [ "Sr" "Sr" "Ca" "Ca" "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" 5.31334783 "source-unit" "angstrom" } "b" { "source-value" 6.47241107 "source-unit" "angstrom" } "c" { "source-value" 7.44243093 "source-unit" "angstrom" } }