{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1b" } "basis-atom-coordinates" { "source-value" [ [ 0.265852 0.818801 0.112412 ] [ 0.236721 0.008989 0.734838 ] [ 0.763279 0.008989 0.234838 ] [ 0.763279 0.508989 0.265162 ] [ 0.236721 0.508989 0.765162 ] [ 0.734148 0.318801 0.887588 ] [ 0.265852 0.318801 0.387588 ] [ 0.734148 0.818801 0.612412 ] [ 0.272302 0.128028 0.998931 ] [ 0.466365 0.227902 0.601585 ] [ 0.913066 0.874347 0.958048 ] [ 0.272302 0.628028 0.501069 ] [ 0.398681 0.356469 0.128956 ] [ 0.936565 0.131631 0.541562 ] [ 0.086934 0.874347 0.458048 ] [ 0.913066 0.374347 0.541952 ] [ 0.727698 0.128028 0.498931 ] [ 0.069667 0.75294 0.351919 ] [ 0.376217 0.616096 0.366284 ] [ 0.398681 0.856469 0.371044 ] [ 0.727698 0.628028 0.001069 ] [ 0.466365 0.727902 0.898415 ] [ 0.601319 0.856469 0.871044 ] [ 0.069667 0.25294 0.148081 ] [ 0.930333 0.25294 0.648081 ] [ 0.707989 0.351792 0.495063 ] [ 0.063435 0.631631 0.458438 ] [ 0.930333 0.75294 0.851919 ] [ 0.533635 0.727902 0.398415 ] [ 0.601319 0.356469 0.628956 ] [ 0.936565 0.631631 0.958438 ] [ 0.623783 0.116096 0.633716 ] [ 0.623783 0.616096 0.866284 ] [ 0.292011 0.851792 0.504937 ] [ 0.707989 0.851792 0.004937 ] [ 0.376217 0.116096 0.133716 ] [ 0.063435 0.131631 0.041562 ] [ 0.292011 0.351792 0.995063 ] [ 0.533635 0.227902 0.101585 ] [ 0.086934 0.374347 0.041952 ] [ 0.76024 0.363715 0.022785 ] [ 0.784662 0.856106 0.221049 ] [ 0.590221 0.547958 0.206188 ] [ 0.21331 0.172138 0.369663 ] [ 0.767021 0.573153 0.395817 ] [ 0.23976 0.363715 0.522785 ] [ 0.456802 0.337917 0.354384 ] [ 0.78669 0.672138 0.630337 ] [ 0.543198 0.837917 0.645616 ] [ 0.21331 0.672138 0.130337 ] [ 0.839321 0.915924 0.693839 ] [ 0.093761 0.572393 0.686907 ] [ 0.839321 0.415924 0.806161 ] [ 0.784662 0.356106 0.278951 ] [ 0.215338 0.356106 0.778951 ] [ 0.409779 0.047958 0.793812 ] [ 0.093761 0.072393 0.813093 ] [ 0.232979 0.573153 0.895817 ] [ 0.78669 0.172138 0.869663 ] [ 0.160679 0.415924 0.306161 ] [ 0.906239 0.572393 0.186907 ] [ 0.456802 0.837917 0.145616 ] [ 0.906239 0.072393 0.313093 ] [ 0.232979 0.073153 0.604183 ] [ 0.23976 0.863715 0.977215 ] [ 0.409779 0.547958 0.706188 ] [ 0.767021 0.073153 0.104183 ] [ 0.590221 0.047958 0.293812 ] [ 0.160679 0.915924 0.193839 ] [ 0.543198 0.337917 0.854384 ] [ 0.76024 0.863715 0.477215 ] [ 0.215338 0.856106 0.721049 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.90011049 "source-unit" "angstrom" } "b" { "source-value" 13.89044526 "source-unit" "angstrom" } "c" { "source-value" 15.25667541 "source-unit" "angstrom" } }