{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.291048 0.033873 0.681341 ] [ 0.208952 0.533873 0.318659 ] [ 0.708952 0.966127 0.318659 ] [ 0.791048 0.466127 0.681341 ] [ 0.0083 0.758466 0.54934 ] [ 0.5083 0.741534 0.54934 ] [ 0.9917 0.241534 0.45066 ] [ 0.4917 0.258466 0.45066 ] [ 0.793876 0.620414 0.081211 ] [ 0.293876 0.879586 0.081211 ] [ 0.206124 0.379586 0.918789 ] [ 0.706124 0.120414 0.918789 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "S" "S" "S" "S" "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" 7.0037788471 "source-unit" "angstrom" } "b" { "source-value" 7.10602445 "source-unit" "angstrom" } "c" { "source-value" 7.10286394384 "source-unit" "angstrom" } "beta" { "source-value" 100.12044076 "source-unit" "degree" } }