{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.524929 ] [ 0 0 0.475071 ] [ 0 0.5 0.259981 ] [ 0.5 0 0.740019 ] [ 0 0.5 0.806981 ] [ 0.5 0 0.193019 ] [ 0.22056 0.326008 0.39686 ] [ 0.77944 0.673992 0.39686 ] [ 0.73719 0.679376 0.705863 ] [ 0.27944 0.826008 0.60314 ] [ 0.656902 0.787573 0.079829 ] [ 0.843098 0.287573 0.920171 ] [ 0.26281 0.320624 0.705863 ] [ 0.72056 0.173992 0.60314 ] [ 0.23719 0.820624 0.294137 ] [ 0.76281 0.179376 0.294137 ] [ 0.156902 0.712427 0.920171 ] [ 0.343098 0.212427 0.079829 ] ] } "species" { "source-value" [ "Zn" "Zn" "Te" "Te" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.10137888 "source-unit" "angstrom" } "b" { "source-value" 5.35242241 "source-unit" "angstrom" } "c" { "source-value" 9.20584397 "source-unit" "angstrom" } }