{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.355552 0.197321 0.903259 ] [ 0.644448 0.697321 0.096741 ] [ 0.825653 0.692654 0.585528 ] [ 0.174347 0.192654 0.414472 ] [ 0.607942 0.19144 0.350492 ] [ 0.392058 0.69144 0.649508 ] [ 0.884116 0.213096 0.852902 ] [ 0.115884 0.713096 0.147098 ] [ 0.627315 0.191432 0.691711 ] [ 0.915011 0.1696 0.154413 ] [ 0.084989 0.6696 0.845587 ] [ 0.372685 0.691432 0.308289 ] [ 0.909595 0.935193 0.261445 ] [ 0.090405 0.435193 0.738555 ] [ 0.738456 0.194065 0.062484 ] [ 0.261544 0.694065 0.937516 ] [ 0.05347 0.914643 0.750915 ] [ 0.064753 0.105122 0.039722 ] [ 0.94653 0.414643 0.249085 ] [ 0.935247 0.605122 0.960278 ] [ 0.201579 0.694894 0.405412 ] [ 0.798421 0.194894 0.594588 ] [ 0.34725 0.457035 0.201933 ] [ 0.65275 0.957035 0.798067 ] [ 0.552784 0.685127 0.390839 ] [ 0.447216 0.185127 0.609161 ] [ 0.354826 0.936099 0.207305 ] [ 0.645174 0.436099 0.792695 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sm" "Sm" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.89442759367 "source-unit" "angstrom" } "b" { "source-value" 6.89574288 "source-unit" "angstrom" } "c" { "source-value" 11.8238784568 "source-unit" "angstrom" } "beta" { "source-value" 90.6745403733 "source-unit" "degree" } }