{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.166681 0 ] [ 0 0.833319 0 ] [ 0.5 0.666681 0 ] [ 0.5 0.333319 0 ] [ 0.748584 0.820265 0.212442 ] [ 0.251416 0.820265 0.787558 ] [ 0.209122 0 0.213126 ] [ 0.790878 0 0.786874 ] [ 0.748584 0.179735 0.212442 ] [ 0.251416 0.179735 0.787558 ] [ 0.248584 0.320265 0.212442 ] [ 0.751416 0.320265 0.787558 ] [ 0.709122 0.5 0.213126 ] [ 0.290878 0.5 0.786874 ] [ 0.248584 0.679735 0.212442 ] [ 0.751416 0.679735 0.787558 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.06090640165 "source-unit" "angstrom" } "b" { "source-value" 10.4959485638 "source-unit" "angstrom" } "c" { "source-value" 6.58075278796 "source-unit" "angstrom" } "beta" { "source-value" 107.381630457 "source-unit" "degree" } }