{ "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" [ [ 0.356867 0.207325 0.834503 ] [ 0.643133 0.707325 0.665497 ] [ 0.643133 0.792675 0.165497 ] [ 0.356867 0.292675 0.334503 ] [ 0.169558 0.707451 0.648366 ] [ 0.830442 0.207451 0.851634 ] [ 0.830442 0.292549 0.351634 ] [ 0.169558 0.792549 0.148366 ] [ 0.098914 0.499666 0.293354 ] [ 0.901086 0.999666 0.206646 ] [ 0.901086 0.500334 0.706646 ] [ 0.098914 0.000334 0.793354 ] [ 0.319018 0.426414 0.587049 ] [ 0.680982 0.926414 0.912951 ] [ 0.680982 0.573586 0.412951 ] [ 0.319018 0.073586 0.087049 ] [ 0.613582 0.124987 0.326684 ] [ 0.386418 0.624987 0.173316 ] [ 0.386418 0.875013 0.673316 ] [ 0.613582 0.375013 0.826684 ] [ 0.787129 0.064052 0.642772 ] [ 0.212871 0.564052 0.857228 ] [ 0.212871 0.935948 0.357228 ] [ 0.787129 0.435948 0.142772 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.14541364051 "source-unit" "angstrom" } "b" { "source-value" 5.71403134 "source-unit" "angstrom" } "c" { "source-value" 8.6057120452 "source-unit" "angstrom" } "beta" { "source-value" 90.6198396851 "source-unit" "degree" } }