{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.423879 0.320421 0.58535 ] [ 0.576121 0.820421 0.91465 ] [ 0.576121 0.679579 0.41465 ] [ 0.423879 0.179579 0.08535 ] [ 0.246549 0.234012 0.475837 ] [ 0.753451 0.734012 0.024163 ] [ 0.753451 0.765988 0.524163 ] [ 0.246549 0.265988 0.975837 ] [ 0.23261 0.402308 0.336541 ] [ 0.76739 0.902308 0.163459 ] [ 0.76739 0.597692 0.663459 ] [ 0.23261 0.097692 0.836541 ] [ 0.062786 0.58527 0.355086 ] [ 0.937214 0.08527 0.144914 ] [ 0.937214 0.41473 0.644914 ] [ 0.062786 0.91473 0.855086 ] [ 0.161333 0.8235 0.413299 ] [ 0.838667 0.3235 0.086701 ] [ 0.838667 0.1765 0.586701 ] [ 0.161333 0.6765 0.913299 ] [ 0.153 0.833213 0.586468 ] [ 0.847 0.333213 0.913532 ] [ 0.847 0.166787 0.413532 ] [ 0.153 0.666787 0.086468 ] [ 0.358504 0.747265 0.65994 ] [ 0.641496 0.247265 0.84006 ] [ 0.641496 0.252735 0.34006 ] [ 0.358504 0.752735 0.15994 ] [ 0.336863 0.47978 0.705643 ] [ 0.663137 0.97978 0.794357 ] [ 0.663137 0.52022 0.294357 ] [ 0.336863 0.02022 0.205643 ] ] } "species" { "source-value" [ "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2363243257 "source-unit" "angstrom" } "b" { "source-value" 8.48587136 "source-unit" "angstrom" } "c" { "source-value" 13.6403113491 "source-unit" "angstrom" } "beta" { "source-value" 95.1893852387 "source-unit" "degree" } }