{ "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 0 0 ] [ 0.051279 0.517384 0.755315 ] [ 0.948721 0.482616 0.244685 ] [ 0.147498 0.729301 0.280654 ] [ 0.163599 0.217722 0.492064 ] [ 0.836401 0.782278 0.507936 ] [ 0.852502 0.270699 0.719346 ] [ 0.379633 0.840925 0.864158 ] [ 0.620367 0.159075 0.135842 ] ] } "species" { "source-value" [ "Pd" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.84521883365 "source-unit" "angstrom" } "b" { "source-value" 7.80617877997 "source-unit" "angstrom" } "c" { "source-value" 8.19998810554 "source-unit" "angstrom" } "alpha" { "source-value" 65.4948698296 "source-unit" "degree" } "beta" { "source-value" 85.4830285526 "source-unit" "degree" } "gamma" { "source-value" 79.3054163622 "source-unit" "degree" } }