{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.494716 0.000624 0.300188 ] [ 0.994716 0.999376 0.699812 ] [ 0.994716 0.499376 0.800188 ] [ 0.494716 0.500624 0.199812 ] [ 0.978183 0.819505 0.085211 ] [ 0.478183 0.180495 0.914789 ] [ 0.478183 0.680495 0.585211 ] [ 0.978183 0.319505 0.414789 ] [ 0.980627 0.700753 0.418311 ] [ 0.480627 0.299247 0.581689 ] [ 0.480627 0.799247 0.918311 ] [ 0.980627 0.200753 0.081689 ] [ 0.990908 0.522379 0.412865 ] [ 0.490908 0.477621 0.587135 ] [ 0.490908 0.977621 0.912865 ] [ 0.990908 0.022379 0.087135 ] [ 0.764672 0.758196 0.51729 ] [ 0.264672 0.241804 0.48271 ] [ 0.264672 0.741804 0.01729 ] [ 0.764672 0.258196 0.98271 ] [ 0.232516 0.765059 0.478377 ] [ 0.732516 0.234941 0.521623 ] [ 0.732516 0.734941 0.978377 ] [ 0.232516 0.265059 0.021623 ] [ 0.930377 0.763844 0.265885 ] [ 0.430377 0.236156 0.734115 ] [ 0.430377 0.736156 0.765885 ] [ 0.930377 0.263844 0.234115 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.64056689 "source-unit" "angstrom" } "b" { "source-value" 9.16655095 "source-unit" "angstrom" } "c" { "source-value" 9.885827 "source-unit" "angstrom" } }