{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.25114 0.25114 0.25114 ] [ 0.99886 0.99886 0.99886 ] [ 0.50114 0.00114 0.49886 ] [ 0.24886 0.74886 0.75114 ] [ 0.74886 0.75114 0.24886 ] [ 0.00114 0.49886 0.50114 ] [ 0.49886 0.50114 0.00114 ] [ 0.75114 0.24886 0.74886 ] [ 0.12963 0.12037 0.625 ] [ 0.87963 0.125 0.37037 ] [ 0.625 0.12963 0.12037 ] [ 0.875 0.87037 0.62037 ] [ 0.62037 0.875 0.87037 ] [ 0.37037 0.87963 0.125 ] [ 0.87037 0.62037 0.875 ] [ 0.12037 0.625 0.12963 ] [ 0.375 0.62963 0.37963 ] [ 0.125 0.37037 0.87963 ] [ 0.37963 0.375 0.62963 ] [ 0.62963 0.37963 0.375 ] [ 0.375 0.125 0.875 ] [ 0.125 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.375 0.125 ] [ 0.126583 0.142589 0.859342 ] [ 0.357411 0.140658 0.626583 ] [ 0.638771 0.138771 0.361229 ] [ 0.107411 0.123417 0.390658 ] [ 0.859342 0.126583 0.142589 ] [ 0.888771 0.111229 0.611229 ] [ 0.623417 0.109342 0.892589 ] [ 0.390658 0.107411 0.123417 ] [ 0.109342 0.892589 0.623417 ] [ 0.876583 0.890658 0.392589 ] [ 0.611229 0.888771 0.111229 ] [ 0.640658 0.873417 0.642589 ] [ 0.392589 0.876583 0.890658 ] [ 0.861229 0.861229 0.861229 ] [ 0.142589 0.859342 0.126583 ] [ 0.373417 0.857411 0.359342 ] [ 0.873417 0.642589 0.640658 ] [ 0.642589 0.640658 0.873417 ] [ 0.361229 0.638771 0.138771 ] [ 0.892589 0.623417 0.109342 ] [ 0.140658 0.626583 0.357411 ] [ 0.111229 0.611229 0.888771 ] [ 0.376583 0.609342 0.607411 ] [ 0.609342 0.607411 0.376583 ] [ 0.890658 0.392589 0.876583 ] [ 0.123417 0.390658 0.107411 ] [ 0.388771 0.388771 0.388771 ] [ 0.359342 0.373417 0.857411 ] [ 0.607411 0.376583 0.609342 ] [ 0.138771 0.361229 0.638771 ] [ 0.857411 0.359342 0.373417 ] [ 0.626583 0.357411 0.140658 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.42160097 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.5737214425 "source-unit" "eV" } }