{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.155166 0.20527 0.526598 ] [ 0 0.704718 0.5 ] [ 0.154909 0.79024 0.027921 ] [ 0 0.292487 0 ] [ 0.844834 0.20527 0.473402 ] [ 0.845091 0.79024 0.972079 ] [ 0.655166 0.70527 0.526598 ] [ 0.5 0.204718 0.5 ] [ 0.654909 0.29024 0.027921 ] [ 0.5 0.792487 0 ] [ 0.344834 0.70527 0.473402 ] [ 0.345091 0.29024 0.972079 ] [ 0.071648 0.43251 0.347522 ] [ 0.09997 0.053352 0.808728 ] [ 0.90003 0.053352 0.191272 ] [ 0.071362 0.5658 0.846562 ] [ 0.928352 0.43251 0.652478 ] [ 0.098694 0.946261 0.305624 ] [ 0.901306 0.946261 0.694376 ] [ 0.928638 0.5658 0.153438 ] [ 0.571648 0.93251 0.347522 ] [ 0.59997 0.553352 0.808728 ] [ 0.40003 0.553352 0.191272 ] [ 0.571362 0.0658 0.846562 ] [ 0.428352 0.93251 0.652478 ] [ 0.598694 0.446261 0.305624 ] [ 0.401306 0.446261 0.694376 ] [ 0.428638 0.0658 0.153438 ] [ 0.249744 0.756913 0.750941 ] [ 0.250256 0.256913 0.249059 ] [ 0.749744 0.256913 0.750941 ] [ 0.750256 0.756913 0.249059 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.52262024 "source-unit" "angstrom" } "b" { "source-value" 5.80980921 "source-unit" "angstrom" } "c" { "source-value" 5.83210817 "source-unit" "angstrom" } "beta" { "source-value" 98.82812338 "source-unit" "degree" } }