{ "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 ] [ 0.823063 0 0.69741 ] [ 0.676937 0.5 0.30259 ] [ 0.5 0 0 ] [ 0.323063 0.5 0.69741 ] [ 0.176937 0 0.30259 ] [ 0.828223 0 0.147016 ] [ 0.671777 0.5 0.852984 ] [ 0.328223 0.5 0.147016 ] [ 0.171777 0 0.852984 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.843665 0.5 0.407919 ] [ 0.66373 0 0.072119 ] [ 0.656335 0 0.592081 ] [ 0.996359 0 0.721811 ] [ 0.003641 0 0.278189 ] [ 0.83627 0.5 0.927881 ] [ 0.343665 0 0.407919 ] [ 0.16373 0.5 0.072119 ] [ 0.156335 0.5 0.592081 ] [ 0.496359 0.5 0.721811 ] [ 0.503641 0.5 0.278189 ] [ 0.33627 0 0.927881 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "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" 12.79729807 "source-unit" "angstrom" } "b" { "source-value" 3.06107908 "source-unit" "angstrom" } "c" { "source-value" 6.17275304 "source-unit" "angstrom" } "beta" { "source-value" 103.37665944 "source-unit" "degree" } }