{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.93375 0.603886 0.75 ] [ 0.329864 0.93375 0.25 ] [ 0.603886 0.670136 0.25 ] [ 0.396114 0.329864 0.75 ] [ 0.670136 0.06625 0.75 ] [ 0.06625 0.396114 0.25 ] [ 0.862678 0.31739 0.25 ] [ 0.137322 0.68261 0.75 ] [ 0.454712 0.137322 0.25 ] [ 0.68261 0.545288 0.25 ] [ 0.31739 0.454712 0.75 ] [ 0.545288 0.862678 0.75 ] [ 0.122282 0.421168 0.469719 ] [ 0.877718 0.578832 0.969719 ] [ 0.298886 0.877718 0.469719 ] [ 0.578832 0.701114 0.469719 ] [ 0.421168 0.298886 0.969719 ] [ 0.701114 0.122282 0.969719 ] [ 0.093988 0.211658 0.25 ] [ 0.882331 0.093988 0.75 ] [ 0.211658 0.117669 0.75 ] [ 0.788342 0.882331 0.25 ] [ 0.117669 0.906012 0.25 ] [ 0.906012 0.788342 0.75 ] [ 0.369028 0.515852 0.25 ] [ 0.853176 0.369028 0.75 ] [ 0.515852 0.146824 0.75 ] [ 0.484148 0.853176 0.25 ] [ 0.146824 0.630972 0.25 ] [ 0.630972 0.484148 0.75 ] [ 0.122282 0.421168 0.030281 ] [ 0.701114 0.122282 0.530281 ] [ 0.421168 0.298886 0.530281 ] [ 0.578832 0.701114 0.030281 ] [ 0.298886 0.877718 0.030281 ] [ 0.877718 0.578832 0.530281 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 9.30694461238 "source-unit" "angstrom" } "c" { "source-value" 8.28903682 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.716584267222222 "source-unit" "eV" } }