{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.166693 0.5 ] [ 0.5 0.166655 0 ] [ 0.5 0.833345 0 ] [ 0 0.833307 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.666693 0.5 ] [ 0 0.666655 0 ] [ 0 0.333345 0 ] [ 0.5 0.333307 0.5 ] [ 0 0.5 0.5 ] [ 0.168942 0.169308 0.899527 ] [ 0.831058 0.169308 0.100473 ] [ 0.666933 0.833381 0.598453 ] [ 0.666933 0.166619 0.598453 ] [ 0.333067 0.833381 0.401547 ] [ 0.833061 0 0.401477 ] [ 0.333067 0.166619 0.401547 ] [ 0.168942 0.830692 0.899527 ] [ 0.660908 0 0.899477 ] [ 0.831058 0.830692 0.100473 ] [ 0.339092 0 0.100523 ] [ 0.166939 0 0.598523 ] [ 0.668942 0.669308 0.899527 ] [ 0.331058 0.669308 0.100473 ] [ 0.166933 0.333381 0.598453 ] [ 0.166933 0.666619 0.598453 ] [ 0.833067 0.333381 0.401547 ] [ 0.333061 0.5 0.401477 ] [ 0.833067 0.666619 0.401547 ] [ 0.668942 0.330692 0.899527 ] [ 0.160908 0.5 0.899477 ] [ 0.331058 0.330692 0.100473 ] [ 0.839092 0.5 0.100523 ] [ 0.666939 0.5 0.598523 ] ] } "species" { "source-value" [ "Mn" "Mn" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.92111319 "source-unit" "angstrom" } "b" { "source-value" 8.53821648 "source-unit" "angstrom" } "c" { "source-value" 9.48269715 "source-unit" "angstrom" } "beta" { "source-value" 90.09917449 "source-unit" "degree" } }