{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.136035 0.42 ] [ 0 0.758023 0.278733 ] [ 0 0.636035 0.08 ] [ 0 0.258023 0.221267 ] [ 0 0.363965 0.92 ] [ 0 0.241977 0.721267 ] [ 0 0 0 ] [ 0 0.741977 0.778733 ] [ 0 0.5 0.5 ] [ 0 0.863965 0.58 ] [ 0.5 0.799589 0.43199 ] [ 0.5 0.563669 0.649978 ] [ 0.5 0.436331 0.350022 ] [ 0.5 0.063669 0.850022 ] [ 0.5 0.299589 0.06801 ] [ 0.5 0.936331 0.149978 ] [ 0.5 0.700411 0.93199 ] [ 0.5 0.200411 0.56801 ] [ 0.5 0.548303 0.193195 ] [ 0.5 0.451697 0.806805 ] [ 0.5 0.048303 0.306805 ] [ 0.5 0.951697 0.693195 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "In" "In" "In" "In" "In" "In" "In" "In" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.41655111036 "source-unit" "angstrom" } "b" { "source-value" 7.68778665742 "source-unit" "angstrom" } "c" { "source-value" 17.6236000555 "source-unit" "angstrom" } }