{ "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" [ [ 0.290264 0.275781 0.914134 ] [ 0.485651 0.50446 0.655272 ] [ 0.976352 0.000179 0.649527 ] [ 0.021531 0.349102 0.370391 ] [ 0.258203 0.931027 0.882352 ] [ 0.465024 0.15607 0.623735 ] [ 0.243721 0.566527 0.139754 ] [ 0.771074 0.44279 0.886324 ] [ 0.52007 0.853813 0.374328 ] [ 0.975354 0.649138 0.627258 ] [ 0.737191 0.064197 0.124765 ] [ 0.031769 0.693164 0.387673 ] [ 0.256105 0.590763 0.865092 ] [ 0.477675 0.813442 0.625786 ] [ 0.238045 0.899624 0.133459 ] [ 0.527508 0.187398 0.377054 ] [ 0.768879 0.114084 0.877868 ] [ 0.970289 0.319418 0.631724 ] [ 0.727774 0.387052 0.12077 ] [ 0.01832 0.096506 0.857496 ] [ 0.11073 0.695322 0.820223 ] [ 0.144777 0.496512 0.914335 ] [ 0.098227 0.192221 0.63655 ] [ 0.071673 0.424174 0.584255 ] [ 0.230387 0.830378 0.65919 ] [ 0.266381 0.680186 0.34935 ] [ 0.509876 0.574052 0.852582 ] [ 0.616946 0.226294 0.841615 ] [ 0.4628 0.074933 0.421771 ] [ 0.376077 0.310462 0.383575 ] [ 0.651664 0.026857 0.929958 ] [ 0.369444 0.986641 0.084705 ] [ 0.615968 0.686037 0.630524 ] [ 0.579247 0.926013 0.590992 ] [ 0.381561 0.795212 0.180312 ] [ 0.464643 0.380095 0.103295 ] [ 0.738543 0.353859 0.674233 ] [ 0.759682 0.175263 0.332471 ] [ 0.960328 0.5758 0.430181 ] [ 0.87472 0.811705 0.389827 ] [ 0.858912 0.48401 0.078564 ] [ 0.884091 0.29098 0.175683 ] [ 0.979495 0.916801 0.132444 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23345583 "source-unit" "angstrom" } "b" { "source-value" 9.16713935 "source-unit" "angstrom" } "c" { "source-value" 11.33130246 "source-unit" "angstrom" } "alpha" { "source-value" 113.0160487 "source-unit" "degree" } "beta" { "source-value" 103.29840741 "source-unit" "degree" } "gamma" { "source-value" 89.41619858 "source-unit" "degree" } }