{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.597954 0 0.229944 ] [ 0.402046 0 0.770056 ] [ 0 0.764974 0.5 ] [ 0 0.235026 0.5 ] [ 0.097954 0.5 0.229944 ] [ 0.902046 0.5 0.770056 ] [ 0.5 0.264974 0.5 ] [ 0.5 0.735026 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.21405813877 "source-unit" "angstrom" } "b" { "source-value" 6.18385812104 "source-unit" "angstrom" } "c" { "source-value" 6.17800134752 "source-unit" "angstrom" } "beta" { "source-value" 119.103973343 "source-unit" "degree" } }