{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.191465 0.239418 0.683263 ] [ 0.808535 0.739418 0.816737 ] [ 0.191465 0.260582 0.183263 ] [ 0.808535 0.760582 0.316737 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.646138 0.978138 0.361826 ] [ 0.353862 0.478138 0.138174 ] [ 0.353862 0.021862 0.638174 ] [ 0.646138 0.521862 0.861826 ] [ 0.107495 0.733698 0.410098 ] [ 0.892505 0.233698 0.089902 ] [ 0.710285 0.987778 0.8935 ] [ 0.289715 0.487778 0.6065 ] [ 0.289715 0.012222 0.1065 ] [ 0.710285 0.512222 0.3935 ] [ 0.833352 0.777394 0.651275 ] [ 0.166648 0.277394 0.848725 ] [ 0.166648 0.222606 0.348725 ] [ 0.833352 0.722606 0.151275 ] [ 0.107495 0.766302 0.910098 ] [ 0.892505 0.266302 0.589902 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91094830213 "source-unit" "angstrom" } "b" { "source-value" 7.7404895 "source-unit" "angstrom" } "c" { "source-value" 12.7723144135 "source-unit" "angstrom" } "beta" { "source-value" 95.7620672062 "source-unit" "degree" } }