{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0.543196 0.086392 0.25 ] [ 0.913608 0.456804 0.25 ] [ 0.086392 0.543196 0.75 ] [ 0.456804 0.543196 0.75 ] [ 0 0 0.25 ] [ 0.543196 0.456804 0.25 ] [ 0.456804 0.913608 0.75 ] [ 0.831514 0.663028 0.507734 ] [ 0.168486 0.336972 0.007734 ] [ 0.336972 0.168486 0.992266 ] [ 0.831514 0.168486 0.992266 ] [ 0.333333 0.666667 0.490959 ] [ 0.234348 0.468696 0.25 ] [ 0.831514 0.168486 0.507734 ] [ 0.831514 0.663028 0.992266 ] [ 0.666667 0.333333 0.990959 ] [ 0.168486 0.831514 0.007734 ] [ 0.663028 0.831514 0.492266 ] [ 0.468696 0.234348 0.75 ] [ 0.336972 0.168486 0.507734 ] [ 0.531304 0.765652 0.25 ] [ 0.663028 0.831514 0.007734 ] [ 0.168486 0.831514 0.492266 ] [ 0.666667 0.333333 0.509041 ] [ 0 0 0.5 ] [ 0.765652 0.234348 0.75 ] [ 0.333333 0.666667 0.009041 ] [ 0.234348 0.765652 0.25 ] [ 0.168486 0.336972 0.492266 ] [ 0.765652 0.531304 0.75 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 9.1209163 "source-unit" "angstrom" } "c" { "source-value" 9.76236187 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.4545084259375 "source-unit" "eV" } }