{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.988356 0.001435 0.75 ] [ 0.488356 0.498565 0.25 ] [ 0.511644 0.501435 0.75 ] [ 0.011644 0.998565 0.25 ] [ 0.125919 0.167634 0.432928 ] [ 0.625919 0.332366 0.567072 ] [ 0.374081 0.667634 0.067072 ] [ 0.874081 0.832366 0.932928 ] [ 0.687492 0.083063 0.25 ] [ 0.187492 0.416937 0.75 ] [ 0.812508 0.583063 0.25 ] [ 0.312508 0.916937 0.75 ] [ 0.125919 0.167634 0.067072 ] [ 0.625919 0.332366 0.932928 ] [ 0.374081 0.667634 0.432928 ] [ 0.874081 0.832366 0.567072 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.94773008 "source-unit" "angstrom" } "b" { "source-value" 8.86921228 "source-unit" "angstrom" } "c" { "source-value" 9.35376379 "source-unit" "angstrom" } }