{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.015334 0.971643 0.75 ] [ 0.515334 0.528357 0.25 ] [ 0.484666 0.471643 0.75 ] [ 0.984666 0.028357 0.25 ] [ 0.866359 0.188863 0.421887 ] [ 0.366359 0.311137 0.578113 ] [ 0.633641 0.688863 0.078113 ] [ 0.133641 0.811137 0.921887 ] [ 0.133641 0.811137 0.578113 ] [ 0.633641 0.688863 0.421887 ] [ 0.366359 0.311137 0.921887 ] [ 0.866359 0.188863 0.078113 ] [ 0.319918 0.078262 0.25 ] [ 0.819918 0.421738 0.75 ] [ 0.180082 0.578262 0.25 ] [ 0.680082 0.921738 0.75 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Se" "Se" "Se" "Se" "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" 5.13579684 "source-unit" "angstrom" } "b" { "source-value" 6.00400891 "source-unit" "angstrom" } "c" { "source-value" 7.81048882 "source-unit" "angstrom" } }