{ "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" [ [ 0.057339 0 0.873074 ] [ 0.942661 0 0.126926 ] [ 0.929411 0 0.373227 ] [ 0.070589 0 0.626773 ] [ 0.5 0.5 0 ] [ 0.369822 0.5 0.250469 ] [ 0.5 0.5 0.5 ] [ 0.630178 0.5 0.749531 ] [ 0.770197 0.5 0.078302 ] [ 0.898975 0.5 0.822651 ] [ 0.656715 0 0.451747 ] [ 0.789916 0 0.703652 ] [ 0.210084 0 0.296348 ] [ 0.343285 0 0.548253 ] [ 0.229803 0.5 0.921698 ] [ 0.101025 0.5 0.177349 ] [ 0.692611 0.5 0.321251 ] [ 0.850289 0.5 0.576471 ] [ 0.715728 0 0.95046 ] [ 0.570418 0 0.203335 ] [ 0.284272 0 0.04954 ] [ 0.429582 0 0.796665 ] [ 0.149711 0.5 0.423529 ] [ 0.307389 0.5 0.678749 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 4.72720572 "source-unit" "angstrom" } "b" { "source-value" 2.90599643 "source-unit" "angstrom" } "c" { "source-value" 18.4866668 "source-unit" "angstrom" } "beta" { "source-value" 91.59029029 "source-unit" "degree" } }