{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.024658 0.347074 0.089816 ] [ 0.323285 0.364645 0.410717 ] [ 0.04136 0.676715 0.410717 ] [ 0 0 0.748048 ] [ 0 0 0.251952 ] [ 0.322415 0.975342 0.089816 ] [ 0.652926 0.677585 0.089816 ] [ 0.364645 0.04136 0.589283 ] [ 0.635355 0.95864 0.410717 ] [ 0.347074 0.322415 0.910184 ] [ 0.677585 0.024658 0.910184 ] [ 0.95864 0.323285 0.589283 ] [ 0.676715 0.635355 0.589283 ] [ 0.975342 0.652926 0.910184 ] [ 0.333333 0.666667 0.744496 ] [ 0.666667 0.333333 0.255504 ] [ 0.310443 0.33882 0.661528 ] [ 0.028377 0.689557 0.661528 ] [ 0.333333 0.666667 0.984968 ] [ 0 0 0 ] [ 0.33882 0.028377 0.338472 ] [ 0.66118 0.971623 0.661528 ] [ 0.666667 0.333333 0.015032 ] [ 0.971623 0.310443 0.338472 ] [ 0.689557 0.66118 0.338472 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 7.07326707 "source-unit" "angstrom" } "c" { "source-value" 9.91299654 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.503591033999999 "source-unit" "eV" } }