{ "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" [ [ 0.750937 0.750937 0.750937 ] [ 0.499063 0.499063 0.499063 ] [ 0.000937 0.500937 0.999063 ] [ 0.749063 0.249063 0.250937 ] [ 0.249063 0.250937 0.749063 ] [ 0.500937 0.999063 0.000937 ] [ 0.999063 0.000937 0.500937 ] [ 0.250937 0.749063 0.249063 ] [ 0.628026 0.621974 0.125 ] [ 0.378026 0.625 0.871974 ] [ 0.125 0.628026 0.621974 ] [ 0.375 0.371974 0.121974 ] [ 0.121974 0.375 0.371974 ] [ 0.871974 0.378026 0.625 ] [ 0.371974 0.121974 0.375 ] [ 0.621974 0.125 0.628026 ] [ 0.875 0.128026 0.878026 ] [ 0.625 0.871974 0.378026 ] [ 0.878026 0.875 0.128026 ] [ 0.128026 0.878026 0.875 ] [ 0.875 0.625 0.375 ] [ 0.625 0.375 0.875 ] [ 0.125 0.125 0.125 ] [ 0.375 0.875 0.625 ] [ 0.625834 0.642535 0.359551 ] [ 0.857465 0.640449 0.125834 ] [ 0.139443 0.639443 0.860557 ] [ 0.607465 0.624166 0.890449 ] [ 0.359551 0.625834 0.642535 ] [ 0.389443 0.610557 0.110557 ] [ 0.124166 0.609551 0.392535 ] [ 0.890449 0.607465 0.624166 ] [ 0.609551 0.392535 0.124166 ] [ 0.375834 0.390449 0.892535 ] [ 0.110557 0.389443 0.610557 ] [ 0.140449 0.374166 0.142535 ] [ 0.892535 0.375834 0.390449 ] [ 0.360557 0.360557 0.360557 ] [ 0.642535 0.359551 0.625834 ] [ 0.874166 0.357465 0.859551 ] [ 0.374166 0.142535 0.140449 ] [ 0.142535 0.140449 0.374166 ] [ 0.860557 0.139443 0.639443 ] [ 0.392535 0.124166 0.609551 ] [ 0.640449 0.125834 0.857465 ] [ 0.610557 0.110557 0.389443 ] [ 0.875834 0.109551 0.107465 ] [ 0.109551 0.107465 0.875834 ] [ 0.390449 0.892535 0.375834 ] [ 0.624166 0.890449 0.607465 ] [ 0.889443 0.889443 0.889443 ] [ 0.859551 0.874166 0.357465 ] [ 0.107465 0.875834 0.109551 ] [ 0.639443 0.860557 0.139443 ] [ 0.357465 0.859551 0.874166 ] [ 0.125834 0.857465 0.640449 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "V" "V" "V" "V" "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" 8.4897898 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.035769365178572 "source-unit" "eV" } }