{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.154485 0.5 0.826991 ] [ 0.143113 0 0.459486 ] [ 0.858109 0 0.549055 ] [ 0.848827 0.5 0.173789 ] [ 0.171122 0 0.185714 ] [ 0.654485 0 0.826991 ] [ 0.643113 0.5 0.459486 ] [ 0.358109 0.5 0.549055 ] [ 0.348827 0 0.173789 ] [ 0.671122 0.5 0.185714 ] [ 0.173459 0.5 0.338047 ] [ 0.217526 0.5 0.0911 ] [ 0.673459 0 0.338047 ] [ 0.717526 0 0.0911 ] [ 0.772404 0.5 0.909988 ] [ 0.035084 0 0.733982 ] [ 0.62998 0 0.588371 ] [ 0.829982 0.5 0.653544 ] [ 0.366862 0 0.410404 ] [ 0.963146 0 0.261227 ] [ 0.272404 0 0.909988 ] [ 0.535084 0.5 0.733982 ] [ 0.12998 0.5 0.588371 ] [ 0.329982 0 0.653544 ] [ 0.866862 0.5 0.410404 ] [ 0.463146 0.5 0.261227 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "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" 15.54722415 "source-unit" "angstrom" } "b" { "source-value" 3.2111742 "source-unit" "angstrom" } "c" { "source-value" 10.0231923 "source-unit" "angstrom" } "beta" { "source-value" 129.06642313 "source-unit" "degree" } }