{ "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" [ [ 0.47424 0.650759 0.824038 ] [ 0.5 0 0.5 ] [ 0.52576 0.349241 0.175962 ] [ 0 0.5 0.5 ] [ 0.983286 0.819856 0.16345 ] [ 0.016714 0.180144 0.83655 ] [ 0.806757 0.536411 0.272977 ] [ 0.69237 0.369864 0.934837 ] [ 0.691594 0.700283 0.60302 ] [ 0.698803 0.038284 0.268897 ] [ 0.308406 0.299717 0.39698 ] [ 0.30763 0.630136 0.065163 ] [ 0.301197 0.961716 0.731103 ] [ 0.193243 0.463589 0.727023 ] [ 0.801519 0.201027 0.597244 ] [ 0.800094 0.87793 0.921639 ] [ 0.198481 0.798973 0.402756 ] [ 0.199906 0.12207 0.078361 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.66012253 "source-unit" "angstrom" } "b" { "source-value" 5.53168743 "source-unit" "angstrom" } "c" { "source-value" 7.66061849 "source-unit" "angstrom" } "alpha" { "source-value" 85.24313773 "source-unit" "degree" } "beta" { "source-value" 86.91342672 "source-unit" "degree" } "gamma" { "source-value" 86.25868593 "source-unit" "degree" } }