{ "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" [ [ 0.5 0.88706 0.981607 ] [ 0.5 0.11294 0.481607 ] [ 0 0.373573 0.126167 ] [ 0 0.626427 0.626167 ] [ 0 0.881627 0.24222 ] [ 0.5 0.576209 0.338423 ] [ 0.5 0.423791 0.838423 ] [ 0 0.118373 0.74222 ] [ 0.271971 0.547464 0.917605 ] [ 0.749117 0.702941 0.243067 ] [ 0.227381 0.045071 0.232932 ] [ 0.749117 0.297059 0.743067 ] [ 0.5 0.250571 0.951604 ] [ 0.772619 0.954929 0.732932 ] [ 0.5 0.560423 0.698557 ] [ 0.227381 0.954929 0.732932 ] [ 0 0.839366 0.072146 ] [ 0.772619 0.045071 0.232932 ] [ 0.5 0.439577 0.198557 ] [ 0.728029 0.452536 0.417605 ] [ 0.250883 0.702941 0.243067 ] [ 0 0.864913 0.413577 ] [ 0 0.160634 0.572146 ] [ 0.250883 0.297059 0.743067 ] [ 0 0.135087 0.913577 ] [ 0.271971 0.452536 0.417605 ] [ 0.5 0.749429 0.451604 ] [ 0.728029 0.547464 0.917605 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.65944274 "source-unit" "angstrom" } "b" { "source-value" 7.85281867 "source-unit" "angstrom" } "c" { "source-value" 10.50151849 "source-unit" "angstrom" } }