{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.001537 ] [ 0.333333 0.666667 0.498463 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.666667 0.333333 0.998463 ] [ 0.666667 0.333333 0.501537 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333567 0.000031 0.3077 ] [ 0.333536 0.999969 0.8077 ] [ 0.998278 0.33244 0.057673 ] [ 0.001722 0.334162 0.557673 ] [ 0.999969 0.333536 0.3077 ] [ 0.000031 0.333567 0.8077 ] [ 0.333567 0.333536 0.1923 ] [ 0.333536 0.333567 0.6923 ] [ 0.334162 0.33244 0.442327 ] [ 0.33244 0.334162 0.942327 ] [ 0.66756 0.001722 0.442327 ] [ 0.334162 0.001722 0.057673 ] [ 0.33244 0.998278 0.557673 ] [ 0.66756 0.665838 0.057673 ] [ 0.665838 0.66756 0.557673 ] [ 0.666464 0.666433 0.3077 ] [ 0.666433 0.666464 0.8077 ] [ 0.999969 0.666433 0.1923 ] [ 0.000031 0.666464 0.6923 ] [ 0.998278 0.665838 0.442327 ] [ 0.001722 0.66756 0.942327 ] [ 0.665838 0.998278 0.942327 ] [ 0.666464 0.000031 0.1923 ] [ 0.666433 0.999969 0.6923 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "U" "U" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 6.95430668 "source-unit" "angstrom" } "c" { "source-value" 26.96817724 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.206062321111111 "source-unit" "eV" } }