{ "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" [ [ 0.594171 0.976289 0.869576 ] [ 0.094171 0.523711 0.630424 ] [ 0.405829 0.476289 0.130424 ] [ 0.905829 0.023711 0.369576 ] [ 0.094171 0.976289 0.630424 ] [ 0.594171 0.523711 0.869576 ] [ 0.905829 0.476289 0.369576 ] [ 0.405829 0.023711 0.130424 ] [ 0.91807 0.75 0.0811 ] [ 0.41807 0.75 0.4189 ] [ 0.08193 0.25 0.9189 ] [ 0.58193 0.25 0.5811 ] [ 0.408413 0.25 0.961433 ] [ 0.456036 0.512021 0.674586 ] [ 0.043964 0.487979 0.174586 ] [ 0.543964 0.012021 0.325414 ] [ 0.908413 0.25 0.538567 ] [ 0.612324 0.75 0.577548 ] [ 0.091587 0.75 0.461433 ] [ 0.591587 0.75 0.038567 ] [ 0.387676 0.25 0.422452 ] [ 0.887676 0.25 0.077548 ] [ 0.043964 0.012021 0.174586 ] [ 0.112324 0.75 0.922452 ] [ 0.456036 0.987979 0.674586 ] [ 0.543964 0.487979 0.325414 ] [ 0.956036 0.512021 0.825414 ] [ 0.956036 0.987979 0.825414 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Ge" "Ge" "Ge" "Ge" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.37476901 "source-unit" "angstrom" } "b" { "source-value" 7.55532497 "source-unit" "angstrom" } "c" { "source-value" 12.93373317 "source-unit" "angstrom" } }