{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.523229 0.75 0.187586 ] [ 0.023229 0.25 0.312414 ] [ 0.476771 0.25 0.812414 ] [ 0.976771 0.75 0.687586 ] [ 0.851536 0.75 0.065822 ] [ 0.351536 0.25 0.434178 ] [ 0.148464 0.25 0.934178 ] [ 0.648464 0.75 0.565822 ] [ 0.913994 0.456028 0.668757 ] [ 0.413994 0.543972 0.831243 ] [ 0.086006 0.956028 0.331243 ] [ 0.586006 0.043972 0.168757 ] [ 0.086006 0.543972 0.331243 ] [ 0.586006 0.456028 0.168757 ] [ 0.913994 0.043972 0.668757 ] [ 0.413994 0.956028 0.831243 ] ] } "species" { "source-value" [ "I" "I" "I" "I" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.72860456 "source-unit" "angstrom" } "b" { "source-value" 6.75507177 "source-unit" "angstrom" } "c" { "source-value" 9.12442525 "source-unit" "angstrom" } }