{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.017942 0.40587 0.75 ] [ 0.59413 0.612072 0.75 ] [ 0.387928 0.982058 0.75 ] [ 0.982058 0.387928 0.25 ] [ 0.612072 0.59413 0.25 ] [ 0.40587 0.017942 0.25 ] [ 0.270637 0.270637 0.5 ] [ 0 0.729363 0.5 ] [ 0 0.729363 0 ] [ 0.729363 0 0.5 ] [ 0.729363 0 0 ] [ 0.270637 0.270637 0 ] [ 0.333333 0.666667 0.463873 ] [ 0.666667 0.333333 0.536127 ] [ 0.333333 0.666667 0.036127 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.963873 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 7.3884814931 "source-unit" "angstrom" } "c" { "source-value" 7.24159561 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.837638785 "source-unit" "eV" } }