{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.788358 0.25 ] [ 0 0.211642 0.75 ] [ 0.503168 0.829807 0.133157 ] [ 0.496832 0.829807 0.366843 ] [ 0.496832 0.170193 0.866843 ] [ 0.503168 0.170193 0.633157 ] [ 0.234244 0.314261 0.063872 ] [ 0.765756 0.314261 0.436128 ] [ 0.765756 0.685739 0.936128 ] [ 0.234244 0.685739 0.563872 ] [ 0.5 0.663624 0.75 ] [ 0.5 0.336376 0.25 ] [ 0.809211 0.182684 0.040829 ] [ 0.190789 0.182684 0.459171 ] [ 0.190789 0.817316 0.959171 ] [ 0.809211 0.817316 0.540829 ] [ 0.754855 0.913575 0.050571 ] [ 0.245145 0.086425 0.949429 ] [ 0.4014 0.819418 0.671228 ] [ 0.754855 0.086425 0.550571 ] [ 0.5986 0.180582 0.328772 ] [ 0.4014 0.180582 0.171228 ] [ 0.963678 0.709384 0.604638 ] [ 0.036322 0.709384 0.895362 ] [ 0.036322 0.290616 0.395362 ] [ 0.963678 0.290616 0.104638 ] [ 0.297523 0.333414 0.533973 ] [ 0.702477 0.333414 0.966027 ] [ 0.702477 0.666586 0.466027 ] [ 0.297523 0.666586 0.033973 ] [ 0.5 0.603795 0.25 ] [ 0.5 0.396205 0.75 ] [ 0.5986 0.819418 0.828772 ] [ 0.245145 0.913575 0.449429 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.5032958763 "source-unit" "angstrom" } "b" { "source-value" 5.01098464 "source-unit" "angstrom" } "c" { "source-value" 12.961511924 "source-unit" "angstrom" } "beta" { "source-value" 92.9150966498 "source-unit" "degree" } }