{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.764751 0.284365 0.047768 ] [ 0.757012 0.725439 0.507606 ] [ 0.287344 0.289332 0.056117 ] [ 0.258438 0.722346 0.499378 ] [ 0.741562 0.277654 0.500622 ] [ 0.712656 0.710668 0.943883 ] [ 0.242988 0.274561 0.492394 ] [ 0.235249 0.715635 0.952232 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ni" "Ni" "Ni" "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" 5.58342971 "source-unit" "angstrom" } "b" { "source-value" 5.67402318 "source-unit" "angstrom" } "c" { "source-value" 5.71751293 "source-unit" "angstrom" } "alpha" { "source-value" 118.23183757 "source-unit" "degree" } "beta" { "source-value" 118.30903683 "source-unit" "degree" } "gamma" { "source-value" 91.46071471 "source-unit" "degree" } }