{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.965273 0.129083 0.782049 ] [ 0.034727 0.629083 0.217951 ] [ 0.034727 0.870917 0.217951 ] [ 0.965273 0.370917 0.782049 ] [ 0.121323 0.25 0.156632 ] [ 0.878677 0.75 0.843368 ] [ 0.035456 0.13617 0.03129 ] [ 0.964544 0.63617 0.96871 ] [ 0.964544 0.86383 0.96871 ] [ 0.035456 0.36383 0.03129 ] [ 0.89794 0.25 0.676273 ] [ 0.10206 0.75 0.323727 ] [ 0.281202 0.084102 0.666681 ] [ 0.718798 0.584102 0.333319 ] [ 0.718798 0.915898 0.333319 ] [ 0.281202 0.415898 0.666681 ] [ 0.485638 0.25 0.163954 ] [ 0.514362 0.75 0.836046 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "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" 5.92171426142 "source-unit" "angstrom" } "b" { "source-value" 11.81546587 "source-unit" "angstrom" } "c" { "source-value" 6.48889922323 "source-unit" "angstrom" } "beta" { "source-value" 98.6009687601 "source-unit" "degree" } }