{ "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" [ [ 0.999882 0.187877 0.937473 ] [ 0.000308 0.936787 0.68693 ] [ 0.999692 0.063213 0.31307 ] [ 0.000178 0.562698 0.810901 ] [ 0.000336 0.685987 0.438459 ] [ 0.000118 0.812123 0.062527 ] [ 0.999664 0.314013 0.561541 ] [ 0.999822 0.437302 0.189099 ] [ 0.499861 0.623784 0.623725 ] [ 0.500139 0.376216 0.376275 ] [ 0.49984 0.873713 0.873673 ] [ 0.5 0 0.5 ] [ 0.50016 0.126287 0.126327 ] [ 0.499934 0.74722 0.252929 ] [ 0.500066 0.25278 0.747071 ] [ 0.5 0.5 0 ] [ 0.726807 0.036841 0.90637 ] [ 0.272513 0.089802 0.717445 ] [ 0.721703 0.168228 0.525676 ] [ 0.278382 0.710036 0.83414 ] [ 0.720589 0.778867 0.654838 ] [ 0.727487 0.910198 0.282555 ] [ 0.278297 0.831772 0.474324 ] [ 0.721335 0.419067 0.776286 ] [ 0.715898 0.532069 0.414162 ] [ 0.273193 0.963159 0.09363 ] [ 0.284102 0.467931 0.585838 ] [ 0.727281 0.660944 0.033078 ] [ 0.278665 0.580933 0.223714 ] [ 0.721618 0.289964 0.16586 ] [ 0.279411 0.221133 0.345162 ] [ 0.272719 0.339056 0.966922 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.11086617 "source-unit" "angstrom" } "b" { "source-value" 7.75934191 "source-unit" "angstrom" } "c" { "source-value" 7.76086522 "source-unit" "angstrom" } "alpha" { "source-value" 81.85897312 "source-unit" "degree" } "beta" { "source-value" 83.83847801 "source-unit" "degree" } "gamma" { "source-value" 71.00920023 "source-unit" "degree" } }