{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.07611 ] [ 0.666667 0.333333 0.92389 ] [ 0.666667 0.333333 0.408483 ] [ 0.333333 0.666667 0.591517 ] [ 0 0 0.73071 ] [ 0 0 0.26929 ] [ 0.844833 0.155167 0.200545 ] [ 0.844833 0.689666 0.200545 ] [ 0.310334 0.155167 0.200545 ] [ 0.689666 0.844833 0.799455 ] [ 0.155167 0.310334 0.799455 ] [ 0.155167 0.844833 0.799455 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "V" "V" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.09516891999 "source-unit" "angstrom" } "c" { "source-value" 7.93334184 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.98274708 "source-unit" "eV" } }