{ "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 0.295088 0.569217 ] [ 0.75 0.704912 0.430783 ] [ 0.75 0.795088 0.930783 ] [ 0.25 0.204912 0.069217 ] [ 0.25 0.590796 0.448791 ] [ 0.25 0.909204 0.948791 ] [ 0.75 0.090796 0.051209 ] [ 0.75 0.409204 0.551209 ] [ 0.75 0.943073 0.72892 ] [ 0.75 0.556927 0.22892 ] [ 0.25 0.443073 0.77108 ] [ 0.25 0.056927 0.27108 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "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" 4.15738536 "source-unit" "angstrom" } "b" { "source-value" 5.82045364 "source-unit" "angstrom" } "c" { "source-value" 8.92841145 "source-unit" "angstrom" } }