{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.67347 0.82653 0.17347 ] [ 0.82653 0.17347 0.67347 ] [ 0.17347 0.67347 0.82653 ] [ 0.32653 0.32653 0.32653 ] [ 0.337975 0.162025 0.837975 ] [ 0.162025 0.837975 0.337975 ] [ 0.837975 0.337975 0.162025 ] [ 0.662025 0.662025 0.662025 ] [ 0.952809 0.547191 0.452809 ] [ 0.547191 0.452809 0.952809 ] [ 0.452809 0.952809 0.547191 ] [ 0.047191 0.047191 0.047191 ] [ 0.449868 0.436032 0.737921 ] [ 0.949868 0.063968 0.262079 ] [ 0.550132 0.936032 0.762079 ] [ 0.063968 0.262079 0.949868 ] [ 0.762079 0.550132 0.936032 ] [ 0.262079 0.949868 0.063968 ] [ 0.436032 0.737921 0.449868 ] [ 0.737921 0.449868 0.436032 ] [ 0.936032 0.762079 0.550132 ] [ 0.563968 0.237921 0.050132 ] [ 0.237921 0.050132 0.563968 ] [ 0.050132 0.563968 0.237921 ] [ 0.910304 0.910304 0.910304 ] [ 0.589696 0.089696 0.410304 ] [ 0.410304 0.589696 0.089696 ] [ 0.089696 0.410304 0.589696 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.72144082 "source-unit" "angstrom" } }