{ "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 0.312839 0.36401 ] [ 0.75 0.812839 0.13599 ] [ 0.75 0.687161 0.63599 ] [ 0.25 0.187161 0.86401 ] [ 0.25 0.928835 0.075815 ] [ 0.75 0.071165 0.924185 ] [ 0.25 0.571165 0.575815 ] [ 0.75 0.428835 0.424185 ] [ 0.75 0.317477 0.212078 ] [ 0.25 0.682523 0.787922 ] [ 0.25 0.817477 0.287922 ] [ 0.75 0.182523 0.712078 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67518246 "source-unit" "angstrom" } "b" { "source-value" 12.23694444 "source-unit" "angstrom" } "c" { "source-value" 16.135263 "source-unit" "angstrom" } }