{ "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" [ [ 0.70322 0.401488 0.401801 ] [ 0.29678 0.598512 0.598199 ] [ 0.5 0 0 ] [ 0.898765 0.296353 0.806094 ] [ 0.5 0.5 0 ] [ 0.702741 0.901163 0.403864 ] [ 0.101235 0.703647 0.193906 ] [ 0.297259 0.098837 0.596136 ] [ 0.790309 0.372789 0.087599 ] [ 0.991682 0.2298 0.521348 ] [ 0.58881 0.423446 0.71139 ] [ 0.778747 0.817071 0.116492 ] [ 0.209691 0.627211 0.912401 ] [ 0.008318 0.7702 0.478652 ] [ 0.41119 0.576554 0.28861 ] [ 0.594874 0.971208 0.685532 ] [ 0.221253 0.182929 0.883508 ] [ 0.405126 0.028792 0.314468 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.13014863 "source-unit" "angstrom" } "b" { "source-value" 5.96981463 "source-unit" "angstrom" } "c" { "source-value" 6.64090514 "source-unit" "angstrom" } "alpha" { "source-value" 103.5892994 "source-unit" "degree" } "beta" { "source-value" 97.60112121 "source-unit" "degree" } "gamma" { "source-value" 106.6806274 "source-unit" "degree" } }