{ "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" [ [ 0.334061 0.666984 0.108322 ] [ 0.998791 0.002608 0.002682 ] [ 0.99575 0.99342 0.501271 ] [ 0.668128 0.335468 0.607191 ] [ 0.176134 0.340518 0.784688 ] [ 0.172114 0.832054 0.781373 ] [ 0.342658 0.176328 0.279765 ] [ 0.66566 0.831727 0.788369 ] [ 0.839203 0.662148 0.287729 ] [ 0.831111 0.166 0.287498 ] [ 0.333762 0.668525 0.505243 ] [ 0.668066 0.333791 0.004708 ] [ 0.143248 0.313926 0.393434 ] [ 0.033127 0.521082 0.672509 ] [ 0.329753 0.66729 0.896168 ] [ 0.001779 0.000498 0.685457 ] [ 0.001034 0.999567 0.186516 ] [ 0.162131 0.841961 0.393581 ] [ 0.478398 0.51279 0.669045 ] [ 0.489754 0.962756 0.673315 ] [ 0.317717 0.157877 0.894329 ] [ 0.68141 0.829818 0.390062 ] [ 0.528181 0.035434 0.173691 ] [ 0.507578 0.475906 0.169078 ] [ 0.660871 0.329743 0.396772 ] [ 0.843129 0.16228 0.894331 ] [ 0.964185 0.492692 0.172355 ] [ 0.832269 0.686513 0.89268 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "V" "V" "V" "Co" "Co" "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" 5.89377038 "source-unit" "angstrom" } "b" { "source-value" 5.92508553 "source-unit" "angstrom" } "c" { "source-value" 9.7815063 "source-unit" "angstrom" } "alpha" { "source-value" 90.14254523 "source-unit" "degree" } "beta" { "source-value" 90.10470543 "source-unit" "degree" } "gamma" { "source-value" 119.71242268 "source-unit" "degree" } }