{ "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 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.850899 0.169574 0.46005 ] [ 0.149101 0.830426 0.53995 ] [ 0.649101 0.169574 0.03995 ] [ 0.350899 0.830426 0.96005 ] [ 0.770059 0.092863 0.03852 ] [ 0.270059 0.907137 0.53852 ] [ 0.729941 0.092863 0.46148 ] [ 0.229941 0.907137 0.96148 ] [ 0.480252 0.269315 0.043202 ] [ 0.019748 0.269315 0.456798 ] [ 0.519748 0.730685 0.956798 ] [ 0.980252 0.730685 0.543202 ] [ 0.735826 0.438766 0.594275 ] [ 0.235826 0.561234 0.094275 ] [ 0.087163 0.297298 0.986239 ] [ 0.264174 0.561234 0.405725 ] [ 0.05008 0.549892 0.819423 ] [ 0.44992 0.549892 0.680577 ] [ 0.764174 0.438766 0.905725 ] [ 0.412837 0.297298 0.513761 ] [ 0.912837 0.702702 0.013761 ] [ 0.94992 0.450108 0.180577 ] [ 0.55008 0.450108 0.319423 ] [ 0.587163 0.702702 0.486239 ] ] } "species" { "source-value" [ "Ag" "Ag" "Sb" "Sb" "C" "C" "C" "C" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" "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" 7.81102045008 "source-unit" "angstrom" } "b" { "source-value" 8.88576023 "source-unit" "angstrom" } "c" { "source-value" 9.54945311523 "source-unit" "angstrom" } "beta" { "source-value" 104.556819995 "source-unit" "degree" } }