{ "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 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0 1 0.5 ] [ 0.333333 0.666667 0.910215 ] [ 0.666667 0.333333 0.089785 ] [ 0 0 0.243549 ] [ 0.333333 0.666667 0.423118 ] [ 0.666667 0.333333 0.576882 ] [ 0 0 0.756451 ] [ 0.951669 0.603223 0.088663 ] [ 0.603223 0.651553 0.911337 ] [ 0.348447 0.951669 0.911337 ] [ 0.651553 0.048331 0.088663 ] [ 0.396777 0.348447 0.088663 ] [ 0.048331 0.396777 0.911337 ] [ 0.618336 0.936556 0.421996 ] [ 0.269889 0.984886 0.24467 ] [ 0.015114 0.285003 0.24467 ] [ 0.31822 0.381664 0.421996 ] [ 0.063444 0.68178 0.421996 ] [ 0.714997 0.730111 0.24467 ] [ 0.285003 0.269889 0.75533 ] [ 0.936556 0.31822 0.578004 ] [ 0.68178 0.618336 0.578004 ] [ 0.984886 0.714997 0.75533 ] [ 0.730111 0.015114 0.75533 ] [ 0.381664 0.063444 0.578004 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cr" "Cr" "Cr" "C" "C" "C" "C" "C" "C" "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" 4.66045012 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }