{ "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" [ [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.736218 0.229857 0.789422 ] [ 0.272606 0.726233 0.78421 ] [ 0.735743 0.722334 0.784662 ] [ 0.289394 0.254359 0.79535 ] [ 0.710606 0.745641 0.20465 ] [ 0.264257 0.277666 0.215338 ] [ 0.727394 0.273767 0.21579 ] [ 0.263782 0.770143 0.210578 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Ni" "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" 5.91103991 "source-unit" "angstrom" } "b" { "source-value" 5.92349213 "source-unit" "angstrom" } "c" { "source-value" 5.97624634 "source-unit" "angstrom" } "alpha" { "source-value" 119.39633393 "source-unit" "degree" } "beta" { "source-value" 90.11481906 "source-unit" "degree" } "gamma" { "source-value" 119.57716659 "source-unit" "degree" } }