{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43n" } "basis-atom-coordinates" { "source-value" [ [ 0.826943 0.826943 0.173057 ] [ 0.826943 0.173057 0.826943 ] [ 0.326943 0.673057 0.326943 ] [ 0.173057 0.173057 0.173057 ] [ 0.673057 0.673057 0.673057 ] [ 0.326943 0.326943 0.673057 ] [ 0.673057 0.326943 0.326943 ] [ 0.173057 0.826943 0.826943 ] [ 0 0.75 0.5 ] [ 0.25 0.5 0 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.25 0.5 ] [ 0.75 0.5 0 ] [ 0 0.5 0.25 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0 0.5 0.75 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.401877 0.862098 0.862275 ] [ 0.637725 0.362098 0.098123 ] [ 0.137725 0.598123 0.862098 ] [ 0.637902 0.901877 0.637725 ] [ 0.901877 0.362275 0.362098 ] [ 0.137902 0.862275 0.598123 ] [ 0.137725 0.401877 0.137902 ] [ 0.362275 0.637902 0.098123 ] [ 0.362098 0.901877 0.362275 ] [ 0.862275 0.598123 0.137902 ] [ 0.362275 0.362098 0.901877 ] [ 0.862098 0.137725 0.598123 ] [ 0.598123 0.137902 0.862275 ] [ 0.401877 0.137902 0.137725 ] [ 0.862275 0.401877 0.862098 ] [ 0.598123 0.862098 0.137725 ] [ 0.137902 0.137725 0.401877 ] [ 0.637902 0.098123 0.362275 ] [ 0.862098 0.862275 0.401877 ] [ 0.362098 0.098123 0.637725 ] [ 0.637725 0.637902 0.901877 ] [ 0.901877 0.637725 0.637902 ] [ 0.098123 0.362275 0.637902 ] [ 0.098123 0.637725 0.362098 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Cl" "Cl" "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" 8.71803966 "source-unit" "angstrom" } }