{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.68285 0 0.470728 ] [ 0.31715 0 0.529272 ] [ 0.328902 0.878734 0.820304 ] [ 0.671098 0.878734 0.179696 ] [ 0.328902 0.121266 0.820304 ] [ 0.671098 0.121266 0.179696 ] [ 0.18285 0.5 0.470728 ] [ 0.81715 0.5 0.529272 ] [ 0.828902 0.378734 0.820304 ] [ 0.171098 0.378734 0.179696 ] [ 0.828902 0.621266 0.820304 ] [ 0.171098 0.621266 0.179696 ] [ 0 0.108312 0 ] [ 0 0.891688 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.608312 0 ] [ 0.5 0.391688 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.93891581126 "source-unit" "angstrom" } "b" { "source-value" 14.590609389 "source-unit" "angstrom" } "c" { "source-value" 4.76367454689 "source-unit" "angstrom" } "beta" { "source-value" 107.931814671 "source-unit" "degree" } }