{ "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" [ [ 0.235576 0.224337 0.974762 ] [ 0.235576 0.275663 0.474762 ] [ 0.764424 0.724337 0.525238 ] [ 0.764424 0.775663 0.025238 ] [ 0.255707 0.573593 0.786429 ] [ 0.255707 0.926407 0.286429 ] [ 0.744293 0.073593 0.713571 ] [ 0.744293 0.426407 0.213571 ] [ 0.089884 0.116111 0.692761 ] [ 0.089884 0.383889 0.192761 ] [ 0.251045 0.398714 0.749532 ] [ 0.314629 0.644932 0.574882 ] [ 0.251045 0.101286 0.249532 ] [ 0.314629 0.855068 0.074882 ] [ 0.685371 0.144932 0.925118 ] [ 0.748955 0.898714 0.750468 ] [ 0.685371 0.355068 0.425118 ] [ 0.748955 0.601286 0.250468 ] [ 0.910116 0.616111 0.807239 ] [ 0.910116 0.883889 0.307239 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.3549487 "source-unit" "angstrom" } "b" { "source-value" 8.76764154 "source-unit" "angstrom" } "c" { "source-value" 6.50973797 "source-unit" "angstrom" } "beta" { "source-value" 92.66468042 "source-unit" "degree" } }