{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.000083 0 0.998824 ] [ 0.200011 0 0.427702 ] [ 0.865753 0 0.380575 ] [ 0.031531 0.5 0.498282 ] [ 0.500083 0.5 0.998824 ] [ 0.700011 0.5 0.427702 ] [ 0.365753 0.5 0.380575 ] [ 0.531531 0 0.498282 ] [ 0.980768 0 0.343106 ] [ 0.006155 0.5 0.843164 ] [ 0.146895 0.5 0.443798 ] [ 0.812302 0.5 0.393049 ] [ 0.480768 0.5 0.343106 ] [ 0.506155 0 0.843164 ] [ 0.646895 0 0.443798 ] [ 0.312302 0 0.393049 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.1089819362 "source-unit" "angstrom" } "b" { "source-value" 2.51198211253 "source-unit" "angstrom" } "c" { "source-value" 4.39850358489 "source-unit" "angstrom" } "beta" { "source-value" 90.5189236426 "source-unit" "degree" } }