{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0.5 ] [ 0.234441 0 0.742886 ] [ 0.988296 0.767672 0.72504 ] [ 0.249658 0 0.287057 ] [ 0.011704 0.767672 0.27496 ] [ 0.988296 0.232328 0.72504 ] [ 0.750342 0 0.712943 ] [ 0.011704 0.232328 0.27496 ] [ 0.765559 0 0.257114 ] [ 0.734441 0.5 0.742886 ] [ 0.488296 0.267672 0.72504 ] [ 0.749658 0.5 0.287057 ] [ 0.511704 0.267672 0.27496 ] [ 0.488296 0.732328 0.72504 ] [ 0.250342 0.5 0.712943 ] [ 0.511704 0.732328 0.27496 ] [ 0.265559 0.5 0.257114 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "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" 10.01667563 "source-unit" "angstrom" } "b" { "source-value" 5.85201765 "source-unit" "angstrom" } "c" { "source-value" 5.87923221 "source-unit" "angstrom" } "beta" { "source-value" 125.4702108 "source-unit" "degree" } }