{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.76102 0.5 0.905168 ] [ 0.248067 0.276913 0.724483 ] [ 0.248067 0.723087 0.724483 ] [ 0.753465 0.776304 0.276102 ] [ 0.753465 0.223696 0.276102 ] [ 0.23523 0 0.094368 ] [ 0.221061 0.5 0.339718 ] [ 0.792144 0 0.669613 ] [ 0.721386 0.5 0.589987 ] [ 0.279326 0 0.411041 ] [ 0.699417 0 0.964061 ] [ 0.296835 0.5 0.033226 ] [ 0.944126 0 0.924424 ] [ 0.356231 0.5 0.887528 ] [ 0.506168 0 0.851872 ] [ 0.828774 0.317337 0.689871 ] [ 0.828774 0.682663 0.689871 ] [ 0.179093 0 0.57761 ] [ 0.407649 0.5 0.575861 ] [ 0.592482 0 0.429839 ] [ 0.812188 0.5 0.420352 ] [ 0.17415 0.18316 0.309608 ] [ 0.17415 0.81684 0.309608 ] [ 0.490286 0.5 0.145603 ] [ 0.645005 0 0.110198 ] [ 0.05144 0.5 0.069402 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "V" "P" "P" "C" "C" "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" 5.01147242 "source-unit" "angstrom" } "b" { "source-value" 6.63481438 "source-unit" "angstrom" } "c" { "source-value" 8.53347037 "source-unit" "angstrom" } "beta" { "source-value" 94.84041077 "source-unit" "degree" } }