{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.975157 0 0.666924 ] [ 0.024843 0 0.333076 ] [ 0.430257 0.5 0.833176 ] [ 0.5 0.5 0.5 ] [ 0.569743 0.5 0.166824 ] [ 0.814791 0.5 0.06466 ] [ 0.734636 0 0.234923 ] [ 0.688759 0 0.567286 ] [ 0.265364 0 0.765077 ] [ 0.311241 0 0.432714 ] [ 0.185209 0.5 0.93534 ] [ 0.773721 0.5 0.734335 ] [ 0.821046 0.5 0.398921 ] [ 0.679159 0 0.894833 ] [ 0.320841 0 0.105167 ] [ 0.178954 0.5 0.601079 ] [ 0.226279 0.5 0.265665 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "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" 4.7544635 "source-unit" "angstrom" } "b" { "source-value" 3.10144609 "source-unit" "angstrom" } "c" { "source-value" 14.20651119 "source-unit" "angstrom" } "beta" { "source-value" 91.746127 "source-unit" "degree" } }