{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.00472 0.578972 0.186213 ] [ 0 0 0 ] [ 0.99528 0.421028 0.813787 ] [ 0 0 0.5 ] [ 0.719856 0.864452 0.27041 ] [ 0.207909 0.711674 0.90417 ] [ 0.792091 0.288326 0.09583 ] [ 0.280144 0.135548 0.72959 ] [ 0.337798 0.495788 0.662233 ] [ 0.662202 0.504212 0.337767 ] [ 0.278976 0.190941 0.444192 ] [ 0.721024 0.809059 0.555808 ] [ 0.655196 0.950669 0.12254 ] [ 0.678777 0.35424 0.948489 ] [ 0.033011 0.762021 0.244931 ] [ 0.080877 0.17276 0.068525 ] [ 0.071153 0.396256 0.12906 ] [ 0.919123 0.82724 0.931475 ] [ 0.321223 0.64576 0.051511 ] [ 0.966989 0.237979 0.755069 ] [ 0.930404 0.992475 0.318518 ] [ 0.928847 0.603744 0.87094 ] [ 0.344804 0.049331 0.87746 ] [ 0.069596 0.007525 0.681482 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 4.49358713043 "source-unit" "angstrom" } "b" { "source-value" 9.99119197131 "source-unit" "angstrom" } "c" { "source-value" 10.9034983547 "source-unit" "angstrom" } "alpha" { "source-value" 82.0573393996 "source-unit" "degree" } "beta" { "source-value" 88.3246301689 "source-unit" "degree" } "gamma" { "source-value" 88.4421289384 "source-unit" "degree" } }