{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.16462 0.62629 0.254865 ] [ 0.381826 0.235491 0.95008 ] [ 0.618174 0.764509 0.04992 ] [ 0.83538 0.37371 0.745135 ] [ 0.164048 0.182638 0.388288 ] [ 0.835952 0.817362 0.611712 ] [ 0.089391 0.742132 0.560095 ] [ 0.228026 0.54809 0.953822 ] [ 0.058942 0.924029 0.215045 ] [ 0.407404 0.204517 0.61191 ] [ 0.287137 0.330501 0.266604 ] [ 0.712863 0.669499 0.733396 ] [ 0.592596 0.795483 0.38809 ] [ 0.941058 0.075971 0.784955 ] [ 0.771974 0.45191 0.046178 ] [ 0.910609 0.257868 0.439905 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "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" 5.07985076 "source-unit" "angstrom" } "b" { "source-value" 6.38680875 "source-unit" "angstrom" } "c" { "source-value" 6.41821476 "source-unit" "angstrom" } "alpha" { "source-value" 108.59461837 "source-unit" "degree" } "beta" { "source-value" 106.20231008 "source-unit" "degree" } "gamma" { "source-value" 99.21125703 "source-unit" "degree" } }