{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.753948 0.712401 0.77791 ] [ 0.253167 0.750885 0.220523 ] [ 0.227846 0.245723 0.778928 ] [ 0.244071 0.735591 0.780505 ] [ 0.755929 0.264409 0.219495 ] [ 0.772154 0.754277 0.221073 ] [ 0.746833 0.249115 0.779477 ] [ 0.246052 0.287599 0.22209 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ti" "Ti" "Co" "Co" "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" 5.8216806 "source-unit" "angstrom" } "b" { "source-value" 5.83946423 "source-unit" "angstrom" } "c" { "source-value" 5.91938763 "source-unit" "angstrom" } "alpha" { "source-value" 61.57967871 "source-unit" "degree" } "beta" { "source-value" 61.26516329 "source-unit" "degree" } "gamma" { "source-value" 60.80599558 "source-unit" "degree" } }