{ "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" [ [ 0.655251 0 0.226196 ] [ 0.344749 0 0.773804 ] [ 0.155251 0.5 0.226196 ] [ 0.844749 0.5 0.773804 ] [ 0 0.278747 0 ] [ 0 0.721253 0 ] [ 0.310564 0 0.456216 ] [ 0.689436 0 0.543784 ] [ 0.686908 0.5 0.804451 ] [ 0.313092 0.5 0.195549 ] [ 0.5 0.778747 0 ] [ 0.5 0.221253 0 ] [ 0.810564 0.5 0.456216 ] [ 0.189436 0.5 0.543784 ] [ 0.186908 0 0.804451 ] [ 0.813092 0 0.195549 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "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" 12.5389894028 "source-unit" "angstrom" } "b" { "source-value" 7.48598933702 "source-unit" "angstrom" } "c" { "source-value" 7.44598699408 "source-unit" "angstrom" } "beta" { "source-value" 126.607987055 "source-unit" "degree" } }