{ "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" [ [ 0.339386 0.987514 0.158172 ] [ 0.660966 0.00038 0.90459 ] [ 0.157424 0.498694 0.904729 ] [ 0.645086 0.005213 0.417387 ] [ 0.16491 0.842179 0.878994 ] [ 0.8431 0.828397 0.632322 ] [ 0.331598 0.64934 0.134162 ] [ 0.666663 0.660852 0.373002 ] [ 0.33464 0.333129 0.630307 ] [ 0.149077 0.166804 0.384792 ] [ 0.66633 0.345853 0.874995 ] [ 0.841116 0.173797 0.128493 ] [ 0.174395 0.828042 0.377636 ] [ 0.337788 0.669661 0.626119 ] [ 0.838129 0.839844 0.133661 ] [ 0.663003 0.670389 0.877694 ] [ 0.326468 0.321663 0.119866 ] [ 0.655463 0.331447 0.376208 ] [ 0.17002 0.169364 0.87994 ] [ 0.828191 0.166055 0.628495 ] [ 0.294682 0.962501 0.363221 ] [ 0.092816 0.834282 0.098971 ] [ 0.704569 0.973412 0.118294 ] [ 0.193256 0.793461 0.66188 ] [ 0.300803 0.697189 0.349625 ] [ 0.774303 0.807893 0.833806 ] [ 0.914887 0.823809 0.417398 ] [ 0.409261 0.671182 0.91738 ] [ 0.244731 0.532741 0.645358 ] [ 0.586268 0.691909 0.57526 ] [ 0.702377 0.718607 0.179652 ] [ 0.199222 0.449076 0.104266 ] [ 0.80754 0.547143 0.879099 ] [ 0.272883 0.303668 0.836245 ] [ 0.418691 0.314577 0.434792 ] [ 0.773674 0.463682 0.365133 ] [ 0.581209 0.309645 0.083217 ] [ 0.078353 0.187279 0.591454 ] [ 0.203061 0.19123 0.165353 ] [ 0.682126 0.282508 0.673606 ] [ 0.776883 0.199221 0.330006 ] [ 0.312502 0.043543 0.886818 ] [ 0.913282 0.167714 0.922116 ] [ 0.725265 0.026328 0.613582 ] ] } "species" { "source-value" [ "Li" "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" 5.3013707 "source-unit" "angstrom" } "b" { "source-value" 9.03847143 "source-unit" "angstrom" } "c" { "source-value" 10.10322232 "source-unit" "angstrom" } "alpha" { "source-value" 89.79208676 "source-unit" "degree" } "beta" { "source-value" 88.1851372 "source-unit" "degree" } "gamma" { "source-value" 89.87600869 "source-unit" "degree" } }