{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.640223 0.781415 ] [ 0 0.359777 0.218585 ] [ 0.5 0.140223 0.718585 ] [ 0.5 0.859777 0.281415 ] [ 0 0.678727 0.072058 ] [ 0 0.321273 0.927942 ] [ 0.5 0.178727 0.427942 ] [ 0.5 0.821273 0.572058 ] [ 0 0.947543 0.85316 ] [ 0 0.052457 0.14684 ] [ 0.5 0.447543 0.64684 ] [ 0.5 0.552457 0.35316 ] [ 0 0.972182 0.394891 ] [ 0 0.027818 0.605109 ] [ 0.5 0.472182 0.105109 ] [ 0.5 0.527818 0.894891 ] [ 0 0.256684 0.642585 ] [ 0 0.743316 0.357415 ] [ 0.5 0.756684 0.857415 ] [ 0.5 0.243316 0.142585 ] [ 0 0.611457 0.545698 ] [ 0 0.388543 0.454302 ] [ 0.5 0.111457 0.954302 ] [ 0.5 0.888543 0.045698 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.43923957 "source-unit" "angstrom" } "b" { "source-value" 10.78431988 "source-unit" "angstrom" } "c" { "source-value" 11.42638317 "source-unit" "angstrom" } }