{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Ia3" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.377767 0.5 ] [ 0 0.25 0.122233 ] [ 0.122233 0 0.25 ] [ 0.5 0.75 0.122233 ] [ 0.377767 0 0.75 ] [ 0.25 0.877767 0.5 ] [ 0.25 0.622233 0 ] [ 0.122233 0.5 0.75 ] [ 0 0.75 0.377767 ] [ 0.377767 0.5 0.25 ] [ 0.5 0.25 0.377767 ] [ 0.25 0.122233 0 ] [ 0.75 0.877767 0 ] [ 0.5 0.75 0.622233 ] [ 0.622233 0.5 0.75 ] [ 0 0.25 0.622233 ] [ 0.877767 0.5 0.25 ] [ 0.75 0.377767 0 ] [ 0.75 0.122233 0.5 ] [ 0.622233 0 0.25 ] [ 0.5 0.25 0.877767 ] [ 0.877767 0 0.75 ] [ 0 0.75 0.877767 ] [ 0.75 0.622233 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.126045 0.5 0.25 ] [ 0 0.75 0.126045 ] [ 0.5 0.75 0.873955 ] [ 0.75 0.626045 0 ] [ 0.25 0.626045 0.5 ] [ 0.873955 0 0.25 ] [ 0.626045 0.5 0.25 ] [ 0.75 0.873955 0.5 ] [ 0.25 0.873955 0 ] [ 0 0.75 0.626045 ] [ 0.5 0.75 0.373955 ] [ 0.373955 0 0.25 ] [ 0.626045 0 0.75 ] [ 0.5 0.25 0.626045 ] [ 0 0.25 0.373955 ] [ 0.25 0.126045 0.5 ] [ 0.75 0.126045 0 ] [ 0.373955 0.5 0.75 ] [ 0.126045 0 0.75 ] [ 0.25 0.373955 0 ] [ 0.75 0.373955 0.5 ] [ 0.5 0.25 0.126045 ] [ 0 0.25 0.873955 ] [ 0.873955 0.5 0.75 ] [ 0.338202 0.548046 0.447563 ] [ 0.548046 0.947563 0.661798 ] [ 0.447563 0.838202 0.451954 ] [ 0.212489 0.407469 0.295054 ] [ 0.447563 0.338202 0.548046 ] [ 0.295054 0.212489 0.407469 ] [ 0.092531 0.204946 0.287511 ] [ 0.552437 0.838202 0.951954 ] [ 0.407469 0.795054 0.787511 ] [ 0.295054 0.712489 0.592531 ] [ 0.907469 0.704946 0.212489 ] [ 0.287511 0.907469 0.295054 ] [ 0.951954 0.052437 0.161798 ] [ 0.838202 0.548046 0.052437 ] [ 0.704946 0.712489 0.092531 ] [ 0.161798 0.048046 0.447563 ] [ 0.048046 0.552437 0.338202 ] [ 0.092531 0.795054 0.212489 ] [ 0.447563 0.661798 0.951954 ] [ 0.161798 0.548046 0.552437 ] [ 0.787511 0.092531 0.295054 ] [ 0.951954 0.947563 0.338202 ] [ 0.212489 0.092531 0.795054 ] [ 0.204946 0.712489 0.407469 ] [ 0.295054 0.787511 0.092531 ] [ 0.287511 0.407469 0.704946 ] [ 0.548046 0.552437 0.161798 ] [ 0.712489 0.407469 0.204946 ] [ 0.338202 0.951954 0.947563 ] [ 0.052437 0.838202 0.548046 ] [ 0.407469 0.704946 0.287511 ] [ 0.451954 0.947563 0.161798 ] [ 0.338202 0.451954 0.052437 ] [ 0.795054 0.787511 0.407469 ] [ 0.661798 0.951954 0.447563 ] [ 0.548046 0.447563 0.338202 ] [ 0.212489 0.592531 0.204946 ] [ 0.592531 0.795054 0.287511 ] [ 0.204946 0.787511 0.907469 ] [ 0.092531 0.704946 0.712489 ] [ 0.947563 0.661798 0.548046 ] [ 0.407469 0.295054 0.212489 ] [ 0.204946 0.287511 0.092531 ] [ 0.052437 0.161798 0.951954 ] [ 0.287511 0.092531 0.204946 ] [ 0.052437 0.661798 0.048046 ] [ 0.951954 0.552437 0.838202 ] [ 0.161798 0.951954 0.052437 ] [ 0.838202 0.048046 0.947563 ] [ 0.048046 0.447563 0.161798 ] [ 0.947563 0.338202 0.951954 ] [ 0.712489 0.907469 0.795054 ] [ 0.947563 0.838202 0.048046 ] [ 0.795054 0.712489 0.907469 ] [ 0.592531 0.704946 0.787511 ] [ 0.052437 0.338202 0.451954 ] [ 0.907469 0.295054 0.287511 ] [ 0.795054 0.212489 0.092531 ] [ 0.407469 0.204946 0.712489 ] [ 0.787511 0.407469 0.795054 ] [ 0.451954 0.552437 0.661798 ] [ 0.338202 0.048046 0.552437 ] [ 0.204946 0.212489 0.592531 ] [ 0.661798 0.548046 0.947563 ] [ 0.548046 0.052437 0.838202 ] [ 0.592531 0.295054 0.712489 ] [ 0.947563 0.161798 0.451954 ] [ 0.661798 0.048046 0.052437 ] [ 0.287511 0.592531 0.795054 ] [ 0.451954 0.447563 0.838202 ] [ 0.712489 0.592531 0.295054 ] [ 0.704946 0.212489 0.907469 ] [ 0.795054 0.287511 0.592531 ] [ 0.787511 0.907469 0.204946 ] [ 0.048046 0.052437 0.661798 ] [ 0.212489 0.907469 0.704946 ] [ 0.838202 0.451954 0.447563 ] [ 0.552437 0.338202 0.048046 ] [ 0.907469 0.204946 0.787511 ] [ 0.951954 0.447563 0.661798 ] [ 0.838202 0.951954 0.552437 ] [ 0.295054 0.287511 0.907469 ] [ 0.161798 0.451954 0.947563 ] [ 0.048046 0.947563 0.838202 ] [ 0.712489 0.092531 0.704946 ] [ 0.092531 0.295054 0.787511 ] [ 0.704946 0.287511 0.407469 ] [ 0.592531 0.204946 0.212489 ] [ 0.447563 0.161798 0.048046 ] [ 0.907469 0.795054 0.712489 ] [ 0.704946 0.787511 0.592531 ] [ 0.552437 0.661798 0.451954 ] [ 0.787511 0.592531 0.704946 ] [ 0.552437 0.161798 0.548046 ] [ 0.451954 0.052437 0.338202 ] [ 0.661798 0.451954 0.552437 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "V" "V" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" "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" 11.87427201 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.978694987500001 "source-unit" "eV" } }