{ "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 0.979788 0.422297 ] [ 0 0.655082 0.33939 ] [ 0.5 0.479788 0.577703 ] [ 0 0.155082 0.66061 ] [ 0 0.000992 0.049857 ] [ 0 0.500992 0.950143 ] [ 0.5 0.845999 0.82295 ] [ 0.5 0.345999 0.17705 ] [ 0 0.760929 0.6807 ] [ 0.5 0.711609 0.11331 ] [ 0 0.260929 0.3193 ] [ 0.5 0.211609 0.88669 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ba" "Ba" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10501603 "source-unit" "angstrom" } "b" { "source-value" 8.64847693 "source-unit" "angstrom" } "c" { "source-value" 10.00531807 "source-unit" "angstrom" } }