{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.097156 ] [ 0 0 0.011398 ] [ 0 0 0.511398 ] [ 0.666667 0.333333 0.597156 ] [ 0.170282 0.340564 0.786755 ] [ 0.170282 0.829718 0.786755 ] [ 0.659436 0.829718 0.786755 ] [ 0.340564 0.170282 0.286755 ] [ 0.829718 0.170282 0.286755 ] [ 0.829718 0.659436 0.286755 ] [ 0.333333 0.666667 0.513759 ] [ 0.666667 0.333333 0.013759 ] [ 0.167764 0.335528 0.404718 ] [ 0.03668 0.51834 0.652923 ] [ 0.333333 0.666667 0.893001 ] [ 0 0 0.697598 ] [ 0 0 0.197598 ] [ 0.167764 0.832236 0.404718 ] [ 0.48166 0.51834 0.652923 ] [ 0.48166 0.96332 0.652923 ] [ 0.335528 0.167764 0.904718 ] [ 0.664472 0.832236 0.404718 ] [ 0.51834 0.03668 0.152923 ] [ 0.51834 0.48166 0.152923 ] [ 0.666667 0.333333 0.393001 ] [ 0.832236 0.167764 0.904718 ] [ 0.96332 0.48166 0.152923 ] [ 0.832236 0.664472 0.904718 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.00636414 "source-unit" "angstrom" } "c" { "source-value" 9.77889754 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.260994315357143 "source-unit" "eV" } }