{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.252975 0.707803 0.253805 ] [ 0.747025 0.207803 0.246195 ] [ 0.747025 0.292197 0.746195 ] [ 0.252975 0.792197 0.753805 ] [ 0.396771 0.108681 0.599505 ] [ 0.603229 0.608681 0.900495 ] [ 0.603229 0.891319 0.400495 ] [ 0.396771 0.391319 0.099505 ] ] } "species" { "source-value" [ "Mg" "Mg" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.19037882105 "source-unit" "angstrom" } "b" { "source-value" 5.11868154 "source-unit" "angstrom" } "c" { "source-value" 7.59668718196 "source-unit" "angstrom" } "beta" { "source-value" 98.5661841968 "source-unit" "degree" } }