{ "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" [ [ 0.654072 0.25 0.294727 ] [ 0.345928 0.75 0.705273 ] [ 0.064741 0.75 0.163562 ] [ 0.935259 0.25 0.836438 ] [ 0.827103 0.017459 0.67549 ] [ 0.172897 0.517459 0.32451 ] [ 0.172897 0.982541 0.32451 ] [ 0.827103 0.482541 0.67549 ] [ 0.313711 0.25 0.886148 ] [ 0.686289 0.75 0.113852 ] ] } "species" { "source-value" [ "Ba" "Ba" "Se" "Se" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.76147813 "source-unit" "angstrom" } "b" { "source-value" 5.77056924 "source-unit" "angstrom" } "c" { "source-value" 7.0623892 "source-unit" "angstrom" } "beta" { "source-value" 107.91654024 "source-unit" "degree" } }