{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.952695 0 0.667521 ] [ 0.047305 0 0.332479 ] [ 0.410385 0.5 0.832423 ] [ 0.5 0.5 0.5 ] [ 0.589615 0.5 0.167577 ] [ 0.832721 0.5 0.065132 ] [ 0.762558 0 0.232124 ] [ 0.676301 0 0.565794 ] [ 0.237442 0 0.767876 ] [ 0.323699 0 0.434206 ] [ 0.167279 0.5 0.934868 ] [ 0.740271 0.5 0.735648 ] [ 0.842874 0.5 0.39368 ] [ 0.642482 0 0.894475 ] [ 0.357518 0 0.105525 ] [ 0.157126 0.5 0.60632 ] [ 0.259729 0.5 0.264352 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "F" "F" "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" 4.78788442 "source-unit" "angstrom" } "b" { "source-value" 3.10399755 "source-unit" "angstrom" } "c" { "source-value" 14.13417469 "source-unit" "angstrom" } "beta" { "source-value" 92.24679183 "source-unit" "degree" } }