{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.920076 0.73161 ] [ 0.75 0.079924 0.26839 ] [ 0.75 0.420076 0.76839 ] [ 0.25 0.579924 0.23161 ] [ 0.620141 0.187183 0.415019 ] [ 0.120141 0.812817 0.584981 ] [ 0.379859 0.687183 0.084981 ] [ 0.879859 0.312817 0.915019 ] [ 0.620141 0.312817 0.915019 ] [ 0.120141 0.687183 0.084981 ] [ 0.379859 0.812817 0.584981 ] [ 0.879859 0.187183 0.415019 ] [ 0.25 0.192604 0.01335 ] [ 0.75 0.807396 0.98665 ] [ 0.75 0.692604 0.48665 ] [ 0.25 0.307396 0.51335 ] [ 0.43586 0.295989 0.02839 ] [ 0.93586 0.795989 0.47161 ] [ 0.06414 0.295989 0.02839 ] [ 0.56414 0.704011 0.97161 ] [ 0.25 0.43938 0.38848 ] [ 0.75 0.56062 0.61152 ] [ 0.75 0.93938 0.11152 ] [ 0.25 0.06062 0.88848 ] [ 0.25 0.680952 0.155239 ] [ 0.75 0.319048 0.844761 ] [ 0.75 0.180952 0.344761 ] [ 0.25 0.819048 0.655239 ] [ 0.56414 0.795989 0.47161 ] [ 0.06414 0.204011 0.52839 ] [ 0.43586 0.204011 0.52839 ] [ 0.93586 0.704011 0.97161 ] [ 0.25 0.082754 0.180621 ] [ 0.75 0.917246 0.819379 ] [ 0.75 0.582754 0.319379 ] [ 0.25 0.417246 0.680621 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.53908746 "source-unit" "angstrom" } "b" { "source-value" 7.69772094 "source-unit" "angstrom" } "c" { "source-value" 8.20396954 "source-unit" "angstrom" } }