{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.359999 0.75 0.545596 ] [ 0.859999 0.75 0.954404 ] [ 0.640001 0.25 0.454404 ] [ 0.140001 0.25 0.045596 ] [ 0.248384 0.75 0.372485 ] [ 0.751616 0.25 0.627515 ] [ 0.748384 0.75 0.127515 ] [ 0.251616 0.25 0.872485 ] [ 0.269074 0.06852 0.129459 ] [ 0.769074 0.43148 0.370541 ] [ 0.769074 0.06852 0.370541 ] [ 0.230926 0.93148 0.629459 ] [ 0.730926 0.93148 0.870541 ] [ 0.230926 0.56852 0.629459 ] [ 0.269074 0.43148 0.129459 ] [ 0.730926 0.56852 0.870541 ] [ 0.657135 0.75 0.550123 ] [ 0.157135 0.75 0.949877 ] [ 0.342865 0.25 0.449877 ] [ 0.842865 0.25 0.050123 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.39201941 "source-unit" "angstrom" } "b" { "source-value" 9.82207056 "source-unit" "angstrom" } "c" { "source-value" 11.98523104 "source-unit" "angstrom" } }