{ "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 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0 1 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.463908 0.719942 0.777098 ] [ 0.997799 0.759193 0.787951 ] [ 0.96828 0.21551 0.776338 ] [ 0.536092 0.280058 0.222902 ] [ 0.477737 0.230016 0.783637 ] [ 0.002201 0.240807 0.212049 ] [ 0.03172 0.78449 0.223662 ] [ 0.522263 0.769984 0.216363 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cu" "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" 5.69434404 "source-unit" "angstrom" } "b" { "source-value" 5.81359032 "source-unit" "angstrom" } "c" { "source-value" 5.83072873 "source-unit" "angstrom" } "alpha" { "source-value" 119.60118908 "source-unit" "degree" } "beta" { "source-value" 90.6140206 "source-unit" "degree" } "gamma" { "source-value" 118.64830425 "source-unit" "degree" } }