{ "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" [ [ 0.25 0.22274 0.187825 ] [ 0.75 0.72274 0.312175 ] [ 0.25 0.27726 0.687825 ] [ 0.75 0.77726 0.812175 ] [ 0.25 0.647502 0.003063 ] [ 0.75 0.147502 0.496937 ] [ 0.25 0.852498 0.503063 ] [ 0.75 0.352498 0.996937 ] [ 0.008996 0.779554 0.014186 ] [ 0.491004 0.779554 0.014186 ] [ 0.75 0.466864 0.200213 ] [ 0.25 0.509946 0.193327 ] [ 0.75 0.009946 0.306673 ] [ 0.25 0.966864 0.299787 ] [ 0.991004 0.279554 0.485814 ] [ 0.508996 0.279554 0.485814 ] [ 0.008996 0.720446 0.514186 ] [ 0.491004 0.720446 0.514186 ] [ 0.75 0.033136 0.700213 ] [ 0.25 0.990054 0.693327 ] [ 0.75 0.490054 0.806673 ] [ 0.25 0.533136 0.799787 ] [ 0.508996 0.220446 0.985814 ] [ 0.991004 0.220446 0.985814 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "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" 5.80977647 "source-unit" "angstrom" } "b" { "source-value" 7.09942853 "source-unit" "angstrom" } "c" { "source-value" 7.20527656 "source-unit" "angstrom" } }