{ "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" [ [ 0.801568 0 0.098538 ] [ 0 0.5 0 ] [ 0.198432 0 0.901462 ] [ 0.401695 0.5 0.804328 ] [ 0.598047 0 0.701273 ] [ 0.799577 0.5 0.600937 ] [ 0 0 0.5 ] [ 0.200423 0.5 0.399063 ] [ 0.401953 0 0.298727 ] [ 0.598305 0.5 0.195672 ] [ 0.5 0 0.5 ] [ 0.098123 0 0.702726 ] [ 0.901877 0 0.297274 ] [ 0.5 0.5 0 ] [ 0.697881 0 0.901812 ] [ 0.89551 0.5 0.803355 ] [ 0.299396 0.5 0.601224 ] [ 0.700604 0.5 0.398776 ] [ 0.10449 0.5 0.196645 ] [ 0.302119 0 0.098188 ] [ 0.525841 0.5 0.094388 ] [ 0.276359 0 0.003764 ] [ 0.723641 0 0.996236 ] [ 0.919986 0.5 0.897479 ] [ 0.474159 0.5 0.905612 ] [ 0.123894 0 0.802019 ] [ 0.673137 0 0.807299 ] [ 0.857418 0.5 0.706887 ] [ 0.338977 0.5 0.697414 ] [ 0.072838 0 0.60295 ] [ 0.526355 0 0.599352 ] [ 0.259616 0.5 0.505014 ] [ 0.740384 0.5 0.494986 ] [ 0.927162 0 0.39705 ] [ 0.473645 0 0.400648 ] [ 0.661023 0.5 0.302586 ] [ 0.142582 0.5 0.293113 ] [ 0.876106 0 0.197981 ] [ 0.326863 0 0.192701 ] [ 0.080014 0.5 0.102521 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.81899407 "source-unit" "angstrom" } "b" { "source-value" 2.8795022 "source-unit" "angstrom" } "c" { "source-value" 20.59599477 "source-unit" "angstrom" } "beta" { "source-value" 96.92873161 "source-unit" "degree" } }