{ "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 ] [ 0.487146 0.505721 0.762999 ] [ 0.512854 0.494279 0.237001 ] [ 0 0 0.5 ] [ 0.259511 0.721956 0.110439 ] [ 0.18942 0.232442 0.709536 ] [ 0.775569 0.817722 0.669416 ] [ 0.740489 0.278044 0.889561 ] [ 0.336982 0.323396 0.016165 ] [ 0.81058 0.767558 0.290464 ] [ 0.763141 0.238897 0.353018 ] [ 0.236859 0.761103 0.646982 ] [ 0.224431 0.182278 0.330584 ] [ 0.5 0.5 0.5 ] [ 0.663018 0.676604 0.983835 ] ] } "species" { "source-value" [ "Na" "Zr" "Zr" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61602278591 "source-unit" "angstrom" } "b" { "source-value" 5.85751674794 "source-unit" "angstrom" } "c" { "source-value" 7.78216834642 "source-unit" "angstrom" } "alpha" { "source-value" 110.489579748 "source-unit" "degree" } "beta" { "source-value" 96.7225846852 "source-unit" "degree" } "gamma" { "source-value" 106.293403369 "source-unit" "degree" } }