{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.968581 0.302599 0.41594 ] [ 0.635248 0.635932 0.749273 ] [ 0.301914 0.969266 0.082607 ] [ 0.697401 0.665982 0.41594 ] [ 0.364068 0.999315 0.749273 ] [ 0.030734 0.332649 0.082607 ] [ 0.334018 0.031419 0.41594 ] [ 0.000685 0.364752 0.749273 ] [ 0.667351 0.698086 0.082607 ] [ 0.302599 0.334018 0.58406 ] [ 0.969266 0.667351 0.917393 ] [ 0.635932 0.000685 0.250727 ] [ 0.665982 0.968581 0.58406 ] [ 0.332649 0.301914 0.917393 ] [ 0.999315 0.635248 0.250727 ] [ 0.031419 0.697401 0.58406 ] [ 0.698086 0.030734 0.917393 ] [ 0.364752 0.364068 0.250727 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.23821516474 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }