{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0.699091 0.5 ] [ 0 0.654759 0 ] [ 0.300909 0.300909 0.5 ] [ 0.345241 0.345241 0 ] [ 0.653542 0.653542 0 ] [ 0.346458 0 0 ] [ 0.654759 0 0 ] [ 0.699091 0 0.5 ] [ 0 0.346458 0 ] [ 0.333333 0.666667 0.511282 ] [ 0 0 0 ] [ 0.666667 0.333333 0.488718 ] [ 0.117068 0.885853 0.7743 ] [ 0.108243 0.560074 0.755904 ] [ 0.210284 0.771868 0.269104 ] [ 0.228132 0.438416 0.269104 ] [ 0.451831 0.891757 0.755904 ] [ 0.114147 0.231215 0.7743 ] [ 0.561584 0.789716 0.269104 ] [ 0.439926 0.548169 0.755904 ] [ 0.231215 0.114147 0.2257 ] [ 0.768785 0.882932 0.7743 ] [ 0.548169 0.439926 0.244096 ] [ 0.438416 0.228132 0.730896 ] [ 0.882932 0.768785 0.2257 ] [ 0.560074 0.108243 0.244096 ] [ 0.789716 0.561584 0.730896 ] [ 0.771868 0.210284 0.730896 ] [ 0.891757 0.451831 0.244096 ] [ 0.885853 0.117068 0.2257 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Er" "Er" "Er" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 11.08728967 "source-unit" "angstrom" } "c" { "source-value" 6.11251245 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.120266951333333 "source-unit" "eV" } }