{ "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 0 0 ] [ 0.001831 0.164631 0.333451 ] [ 0 0.5 0 ] [ 0.001927 0.330762 0.667673 ] [ 0.998073 0.669238 0.332327 ] [ 0.998169 0.835369 0.666549 ] [ 0.5 0 0.5 ] [ 0.499237 0.16537 0.833174 ] [ 0.500763 0.83463 0.166826 ] [ 0.499544 0.334715 0.166443 ] [ 0.5 0.5 0.5 ] [ 0.500456 0.665285 0.833557 ] [ 0.72558 0.006139 0.253434 ] [ 0.273357 0.160371 0.080197 ] [ 0.270862 0.327199 0.415011 ] [ 0.725015 0.171773 0.586114 ] [ 0.272507 0.663498 0.082259 ] [ 0.729511 0.506585 0.250595 ] [ 0.270489 0.493415 0.749405 ] [ 0.727493 0.336502 0.917741 ] [ 0.274985 0.828227 0.413886 ] [ 0.729138 0.6728 0.584989 ] [ 0.726643 0.839629 0.919803 ] [ 0.27442 0.993861 0.746566 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "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" 5.16426736 "source-unit" "angstrom" } "b" { "source-value" 5.95235356 "source-unit" "angstrom" } "c" { "source-value" 7.87088466 "source-unit" "angstrom" } "alpha" { "source-value" 79.12413074 "source-unit" "degree" } "beta" { "source-value" 77.32721045 "source-unit" "degree" } "gamma" { "source-value" 73.34249082 "source-unit" "degree" } }