{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.980792 0.24537 0.992758 ] [ 0.691522 0.22727 0.669003 ] [ 0.327347 0.244919 0.34384 ] [ 0.327347 0.755081 0.84384 ] [ 0.691522 0.77273 0.169003 ] [ 0.980792 0.75463 0.492758 ] [ 0.615783 0.041966 0.822522 ] [ 0.308241 0.048305 0.503912 ] [ 0.974377 0.057402 0.168343 ] [ 0.308241 0.951695 0.003912 ] [ 0.974377 0.942598 0.668343 ] [ 0.615783 0.958034 0.322522 ] [ 0.700923 0.561848 0.006887 ] [ 0.03417 0.545711 0.325572 ] [ 0.03417 0.454289 0.825572 ] [ 0.700923 0.438152 0.506887 ] [ 0.366939 0.549544 0.667172 ] [ 0.366939 0.450456 0.167172 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.62000141 "source-unit" "angstrom" } "b" { "source-value" 4.62084666 "source-unit" "angstrom" } "c" { "source-value" 10.14176352 "source-unit" "angstrom" } "beta" { "source-value" 116.82876384 "source-unit" "degree" } }