{ "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" [ [ 0.073488 0 0.875 ] [ 0.926512 0 0.125 ] [ 0.919237 0 0.374249 ] [ 0.080763 0 0.625751 ] [ 0.5 0.5 0 ] [ 0.351784 0.5 0.250989 ] [ 0.5 0.5 0.5 ] [ 0.648216 0.5 0.749011 ] [ 0.763892 0.5 0.075117 ] [ 0.903703 0.5 0.825299 ] [ 0.662773 0 0.450439 ] [ 0.812291 0 0.700857 ] [ 0.187709 0 0.299143 ] [ 0.337227 0 0.549561 ] [ 0.236108 0.5 0.924883 ] [ 0.096297 0.5 0.174701 ] [ 0.692174 0.5 0.324564 ] [ 0.865927 0.5 0.579278 ] [ 0.710754 0 0.951737 ] [ 0.573011 0 0.204687 ] [ 0.289246 0 0.048263 ] [ 0.426989 0 0.795313 ] [ 0.134073 0.5 0.420722 ] [ 0.307826 0.5 0.675436 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.81607017 "source-unit" "angstrom" } "b" { "source-value" 3.08094287 "source-unit" "angstrom" } "c" { "source-value" 18.94439507 "source-unit" "angstrom" } "beta" { "source-value" 90.524746 "source-unit" "degree" } }