{ "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" [ [ 0.510565 0.935492 0.369003 ] [ 0.989435 0.435492 0.130997 ] [ 0.489435 0.064508 0.630997 ] [ 0.010565 0.564508 0.869003 ] [ 0.320039 0.798125 0.271728 ] [ 0.179961 0.298125 0.228272 ] [ 0.679961 0.201875 0.728272 ] [ 0.820039 0.701875 0.771728 ] [ 0.714392 0.966824 0.251316 ] [ 0.785608 0.466824 0.248684 ] [ 0.285608 0.033176 0.748684 ] [ 0.214392 0.533176 0.751316 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.93392329829 "source-unit" "angstrom" } "b" { "source-value" 6.66665576 "source-unit" "angstrom" } "c" { "source-value" 5.58510468112 "source-unit" "angstrom" } "beta" { "source-value" 102.522411597 "source-unit" "degree" } }