{ "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 0 0 ] [ 0.999542 0.25064 0.251083 ] [ 0.99963 0.62477 0.126301 ] [ 0.000035 0.125864 0.624574 ] [ 0 0.5 0.5 ] [ 0.999965 0.874136 0.375426 ] [ 0.00037 0.37523 0.873699 ] [ 0.000458 0.74936 0.748917 ] [ 0.499986 0.314521 0.561671 ] [ 0.500014 0.685479 0.438329 ] [ 0.500243 0.061521 0.314461 ] [ 0.500627 0.43784 0.1906 ] [ 0.50036 0.811617 0.064285 ] [ 0.49964 0.188383 0.935715 ] [ 0.499373 0.56216 0.8094 ] [ 0.499757 0.938479 0.685539 ] [ 0.272689 0.030596 0.1518 ] [ 0.726963 0.219456 0.098763 ] [ 0.272758 0.406098 0.027295 ] [ 0.721871 0.104059 0.475973 ] [ 0.280051 0.280883 0.408311 ] [ 0.279752 0.656266 0.283659 ] [ 0.717162 0.47175 0.358513 ] [ 0.278306 0.162317 0.767865 ] [ 0.282838 0.52825 0.641487 ] [ 0.721694 0.837683 0.232135 ] [ 0.720248 0.343734 0.716341 ] [ 0.278129 0.895941 0.524027 ] [ 0.719949 0.719117 0.591689 ] [ 0.273037 0.780544 0.901237 ] [ 0.727242 0.593902 0.972705 ] [ 0.727311 0.969404 0.8482 ] ] } "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" 5.10998224 "source-unit" "angstrom" } "b" { "source-value" 7.75798227 "source-unit" "angstrom" } "c" { "source-value" 7.76484294 "source-unit" "angstrom" } "alpha" { "source-value" 81.76656088 "source-unit" "degree" } "beta" { "source-value" 71.03584291 "source-unit" "degree" } "gamma" { "source-value" 83.80274869 "source-unit" "degree" } }