{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.00467 0.224948 0.744496 ] [ 0.068885 0.497 0.504987 ] [ 0.50467 0.275052 0.244496 ] [ 0.068885 0.503 0.004987 ] [ 0.50467 0.724948 0.744496 ] [ 0.568885 0.997 0.504987 ] [ 0.00467 0.775052 0.244496 ] [ 0.568885 0.003 0.004987 ] [ 0.490802 0.356941 0.823378 ] [ 0.058302 0.923377 0.555598 ] [ 0.990802 0.143059 0.323378 ] [ 0.058302 0.076623 0.055598 ] [ 0.990802 0.856941 0.823378 ] [ 0.558302 0.423377 0.555598 ] [ 0.490802 0.643059 0.323378 ] [ 0.558302 0.576623 0.055598 ] [ 0.257218 0.493733 0.791257 ] [ 0.169732 0.882893 0.016091 ] [ 0.237102 0.785242 0.502349 ] [ 0.214454 0.956626 0.752008 ] [ 0.257218 0.506267 0.291257 ] [ 0.169732 0.117107 0.516091 ] [ 0.237102 0.214758 0.002349 ] [ 0.214454 0.043374 0.252008 ] [ 0.757218 0.993733 0.791257 ] [ 0.669732 0.382893 0.016091 ] [ 0.737102 0.285242 0.502349 ] [ 0.714454 0.456626 0.752008 ] [ 0.757218 0.006267 0.291257 ] [ 0.669732 0.617107 0.516091 ] [ 0.737102 0.714758 0.002349 ] [ 0.714454 0.543374 0.252008 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "As" "As" "As" "As" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "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" 7.93815684652 "source-unit" "angstrom" } "b" { "source-value" 11.2329748505 "source-unit" "angstrom" } "c" { "source-value" 12.8872713985 "source-unit" "angstrom" } "beta" { "source-value" 107.233564918 "source-unit" "degree" } }