{ "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" [ [ 0.663365 0.179202 0.391064 ] [ 0.336635 0.820798 0.608936 ] [ 0.909285 0.249762 0.971797 ] [ 0.344591 0.377827 0.759078 ] [ 0.655409 0.622173 0.240922 ] [ 0.090715 0.750238 0.028203 ] [ 0 0 0 ] [ 0.735672 0.528156 0.949805 ] [ 0.264328 0.471844 0.050195 ] [ 0.486364 0.116274 0.801255 ] [ 0.946216 0.203791 0.661739 ] [ 0.372188 0.288701 0.47803 ] [ 0.803886 0.357895 0.254585 ] [ 0.196114 0.642105 0.745415 ] [ 0.627812 0.711299 0.52197 ] [ 0.053784 0.796209 0.338261 ] [ 0.513636 0.883726 0.198745 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "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" 5.08146629 "source-unit" "angstrom" } "b" { "source-value" 6.67797647 "source-unit" "angstrom" } "c" { "source-value" 6.86098602 "source-unit" "angstrom" } "alpha" { "source-value" 108.63559943 "source-unit" "degree" } "beta" { "source-value" 105.74207674 "source-unit" "degree" } "gamma" { "source-value" 96.67447962 "source-unit" "degree" } }