{ "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" [ [ 0.947078 0.552325 0.22927 ] [ 0.052922 0.447675 0.77073 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.424598 0.023179 0.742589 ] [ 0.575402 0.976821 0.257411 ] [ 0.178989 0.490133 0.396841 ] [ 0.227788 0.310305 0.986427 ] [ 0.737612 0.144895 0.833705 ] [ 0.701421 0.734672 0.3261 ] [ 0.798705 0.159557 0.161545 ] [ 0.298579 0.265328 0.6739 ] [ 0.459328 0.827679 0.617465 ] [ 0.262388 0.855105 0.166295 ] [ 0.540672 0.172321 0.382535 ] [ 0.201295 0.840443 0.838455 ] [ 0.821011 0.509867 0.603159 ] [ 0.772212 0.689695 0.013573 ] ] } "species" { "source-value" [ "Li" "Li" "U" "U" "As" "As" "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" 5.17043091051 "source-unit" "angstrom" } "b" { "source-value" 5.43623464608 "source-unit" "angstrom" } "c" { "source-value" 10.1271073363 "source-unit" "angstrom" } "alpha" { "source-value" 90.3057246962 "source-unit" "degree" } "beta" { "source-value" 97.3731883667 "source-unit" "degree" } "gamma" { "source-value" 104.323092555 "source-unit" "degree" } }