{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.029193 0.327853 0.5 ] [ 0.29866 0.970807 0.5 ] [ 0.672147 0.70134 0.5 ] [ 0.665744 0.020731 0 ] [ 0.354986 0.334256 0 ] [ 0.979269 0.645014 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0 ] [ 0.177131 0.055501 0 ] [ 0.575703 0.151741 0.5 ] [ 0.576037 0.424297 0.5 ] [ 0.944499 0.12163 0 ] [ 0.848259 0.423963 0.5 ] [ 0.87837 0.822869 0 ] [ 0.224399 0.487616 0 ] [ 0.263216 0.775601 0 ] [ 0.512384 0.736784 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cu" "Cu" "Cu" "C" "C" "C" "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" 8.29657026 "source-unit" "angstrom" } "c" { "source-value" 3.05428246 "source-unit" "angstrom" } }