{ "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" [ [ 0.263528 0.168766 0.515349 ] [ 0.736472 0.668766 0.984651 ] [ 0.736472 0.831234 0.484651 ] [ 0.263528 0.331234 0.015349 ] [ 0.682236 0.058954 0.138482 ] [ 0.317764 0.558954 0.361518 ] [ 0.317764 0.941046 0.861518 ] [ 0.682236 0.441046 0.638482 ] [ 0.850089 0.460108 0.387736 ] [ 0.149911 0.960108 0.112264 ] [ 0.149911 0.539892 0.612264 ] [ 0.850089 0.039892 0.887736 ] [ 0.741084 0.322197 0.458952 ] [ 0.258916 0.822197 0.041048 ] [ 0.258916 0.677803 0.541048 ] [ 0.741084 0.177803 0.958952 ] [ 0.992659 0.411178 0.256499 ] [ 0.007341 0.911178 0.243501 ] [ 0.007341 0.588822 0.743501 ] [ 0.992659 0.088822 0.756499 ] [ 0.572877 0.579596 0.254952 ] [ 0.427123 0.079596 0.245048 ] [ 0.427123 0.420404 0.745048 ] [ 0.572877 0.920404 0.754952 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "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" 6.96519537 "source-unit" "angstrom" } "b" { "source-value" 12.74327393 "source-unit" "angstrom" } "c" { "source-value" 10.5667755 "source-unit" "angstrom" } "beta" { "source-value" 123.98753686 "source-unit" "degree" } }