{ "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" [ [ 0.290135 0.922189 0.741905 ] [ 0.209865 0.422189 0.258095 ] [ 0.709865 0.077811 0.258095 ] [ 0.790135 0.577811 0.741905 ] [ 0.30951 0.768088 0.294023 ] [ 0.19049 0.268088 0.705977 ] [ 0.69049 0.231912 0.705977 ] [ 0.80951 0.731912 0.294023 ] [ 0.816853 0.820657 0.060339 ] [ 0.683147 0.320657 0.939661 ] [ 0.183147 0.179343 0.939661 ] [ 0.316853 0.679343 0.060339 ] [ 0.658859 0.592352 0.196017 ] [ 0.841141 0.092352 0.803983 ] [ 0.341141 0.407648 0.803983 ] [ 0.158859 0.907648 0.196017 ] [ 0.620053 0.803363 0.45225 ] [ 0.879947 0.303363 0.54775 ] [ 0.379947 0.196637 0.54775 ] [ 0.120053 0.696637 0.45225 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "B" "B" "B" "B" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.283839025 "source-unit" "angstrom" } "b" { "source-value" 12.70116287 "source-unit" "angstrom" } "c" { "source-value" 7.50395858878 "source-unit" "angstrom" } "beta" { "source-value" 104.657366139 "source-unit" "degree" } }