{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.86018 0.62836 0.477549 ] [ 0.63982 0.12836 0.022451 ] [ 0.13982 0.37164 0.522451 ] [ 0.36018 0.87164 0.977549 ] [ 0.711025 0.190861 0.582604 ] [ 0.788975 0.690861 0.917396 ] [ 0.288975 0.809139 0.417396 ] [ 0.211025 0.309139 0.082604 ] [ 0.745153 0.920502 0.397792 ] [ 0.754847 0.420502 0.102208 ] [ 0.254847 0.079498 0.602208 ] [ 0.245153 0.579498 0.897792 ] [ 0.909729 0.943582 0.84984 ] [ 0.590271 0.443582 0.65016 ] [ 0.090271 0.056418 0.15016 ] [ 0.409729 0.556418 0.34984 ] [ 0.116164 0.547856 0.241286 ] [ 0.383836 0.047856 0.258714 ] [ 0.883836 0.452144 0.758714 ] [ 0.616164 0.952144 0.741286 ] [ 0.54138 0.672104 0.193295 ] [ 0.95862 0.172104 0.306705 ] [ 0.45862 0.327896 0.806705 ] [ 0.04138 0.827896 0.693295 ] [ 0.529781 0.387751 0.37445 ] [ 0.970219 0.887751 0.12555 ] [ 0.470219 0.612249 0.62555 ] [ 0.029781 0.112249 0.87445 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.11081194246 "source-unit" "angstrom" } "b" { "source-value" 13.02873534 "source-unit" "angstrom" } "c" { "source-value" 8.49409960586 "source-unit" "angstrom" } "beta" { "source-value" 101.743127155 "source-unit" "degree" } }