{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.699175 0.826636 0.535267 ] [ 0.408025 0.816028 0.62815 ] [ 0.04082 0.215897 0.635378 ] [ 0.301643 0.658712 0.949991 ] [ 0.713138 0.357492 0.066641 ] [ 0.301758 0.153038 0.448289 ] [ 0.218356 0.959078 0.756312 ] [ 0.490598 0.533559 0.749466 ] [ 0.770216 0.242561 0.745358 ] [ 0.206837 0.752394 0.254159 ] [ 0.503827 0.465613 0.242294 ] [ 0.810827 0.05581 0.257434 ] [ 0.62125 0.904082 0.097816 ] [ 0.187037 0.69532 0.084422 ] [ 0.041877 0.988823 0.701809 ] [ 0.370937 0.482846 0.064988 ] [ 0.269102 0.962537 0.614122 ] [ 0.149189 0.763709 0.780284 ] [ 0.380093 0.627543 0.770688 ] [ 0.627432 0.651934 0.688455 ] [ 0.975552 0.354782 0.751479 ] [ 0.27706 0.956102 0.284909 ] [ 0.363663 0.725698 0.400371 ] [ 0.670422 0.647766 0.37101 ] [ 0.306598 0.342088 0.617077 ] [ 0.614271 0.283175 0.604714 ] [ 0.691034 0.040745 0.707954 ] [ 0.991861 0.634047 0.228688 ] [ 0.349883 0.334697 0.28858 ] [ 0.602431 0.364788 0.214313 ] [ 0.873143 0.246772 0.228325 ] [ 0.782029 0.048582 0.407738 ] [ 0.609743 0.509493 0.920495 ] [ 0.991359 0.027765 0.293666 ] [ 0.813756 0.317041 0.919857 ] [ 0.41145 0.099442 0.920693 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Mn" "Mn" "Mn" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "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" 8.312791 "source-unit" "angstrom" } "b" { "source-value" 8.3679538 "source-unit" "angstrom" } "c" { "source-value" 8.95800163 "source-unit" "angstrom" } "alpha" { "source-value" 90.12488953 "source-unit" "degree" } "beta" { "source-value" 117.46079626 "source-unit" "degree" } "gamma" { "source-value" 118.36935156 "source-unit" "degree" } }