{ "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" [ [ 0.000098 0.082363 0.834963 ] [ 0.999902 0.917637 0.165037 ] [ 0.998043 0.748977 0.499251 ] [ 0.002003 0.585221 0.833245 ] [ 0.997997 0.414779 0.166755 ] [ 0.001957 0.251023 0.500749 ] [ 0.500996 0.665431 0.666494 ] [ 0.5 0.5 0 ] [ 0.499004 0.334569 0.333506 ] [ 0.5 0 0 ] [ 0.500254 0.834626 0.333307 ] [ 0.499746 0.165374 0.666693 ] [ 0.27112 0.048332 0.417565 ] [ 0.272631 0.71279 0.084512 ] [ 0.72888 0.951668 0.582435 ] [ 0.272448 0.877491 0.750823 ] [ 0.727664 0.783239 0.913548 ] [ 0.274659 0.547287 0.420453 ] [ 0.725277 0.618041 0.247111 ] [ 0.272336 0.216761 0.086452 ] [ 0.727369 0.28721 0.915488 ] [ 0.274723 0.381959 0.752889 ] [ 0.725341 0.452713 0.579547 ] [ 0.727552 0.122509 0.249177 ] ] } "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" 5.17754635 "source-unit" "angstrom" } "b" { "source-value" 5.95293586 "source-unit" "angstrom" } "c" { "source-value" 7.86960181 "source-unit" "angstrom" } "alpha" { "source-value" 100.85911414 "source-unit" "degree" } "beta" { "source-value" 96.33716318 "source-unit" "degree" } "gamma" { "source-value" 106.83375159 "source-unit" "degree" } }