{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.69836 0.587052 0.703447 ] [ 0.80164 0.087052 0.296553 ] [ 0.19836 0.087052 0.703447 ] [ 0.30164 0.587052 0.296553 ] [ 0.736346 0.757461 0.075017 ] [ 0.157242 0.870036 0.363027 ] [ 0.842758 0.870036 0.636973 ] [ 0.763654 0.257461 0.924983 ] [ 0.236346 0.257461 0.075017 ] [ 0.657242 0.370036 0.363027 ] [ 0.342758 0.370036 0.636973 ] [ 0.263654 0.757461 0.924983 ] [ 0 0.2212 0.5 ] [ 0.5 0.7212 0.5 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.50229688 "source-unit" "angstrom" } "b" { "source-value" 6.47362073 "source-unit" "angstrom" } "c" { "source-value" 6.71670429 "source-unit" "angstrom" } "beta" { "source-value" 123.21800711 "source-unit" "degree" } }