{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.093843 0.25 0.15363 ] [ 0.906157 0.75 0.84637 ] [ 0.583207 0.25 0.656574 ] [ 0.416793 0.75 0.343426 ] [ 0.636152 0.25 0.281779 ] [ 0.363848 0.75 0.718221 ] [ 0.135836 0.25 0.929292 ] [ 0.864164 0.75 0.070708 ] [ 0.682202 0.75 0.513468 ] [ 0.317798 0.25 0.486532 ] [ 0.05796 0.75 0.310442 ] [ 0.94204 0.25 0.689558 ] [ 0.34228 0.75 0.124347 ] [ 0.65772 0.25 0.875653 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.5321609226 "source-unit" "angstrom" } "b" { "source-value" 4.17036927 "source-unit" "angstrom" } "c" { "source-value" 13.8186351799 "source-unit" "angstrom" } "beta" { "source-value" 93.1854023865 "source-unit" "degree" } }