{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.816525 0 0.5 ] [ 0.183475 0.183475 0.5 ] [ 0 0.816525 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.562377 0.562377 0 ] [ 0 0.437623 0 ] [ 0.437623 0 0 ] [ 0.87868 0.517386 0.5 ] [ 0.517386 0.87868 0.5 ] [ 0 0.275597 0.5 ] [ 0.361295 0.482614 0.5 ] [ 0.192662 0.816948 0 ] [ 0.275597 0 0.5 ] [ 0.375714 0.183052 0 ] [ 0.624286 0.807338 0 ] [ 0 0 0 ] [ 0.12132 0.638705 0.5 ] [ 0.482614 0.361295 0.5 ] [ 0.816948 0.192662 0 ] [ 0.724403 0.724403 0.5 ] [ 0.183052 0.375714 0 ] [ 0.807338 0.624286 0 ] [ 0.638705 0.12132 0.5 ] [ 0.177579 0 0 ] [ 0.645549 0 0 ] [ 0.520053 0.692743 0.5 ] [ 0.479947 0.17269 0.5 ] [ 0.692743 0.520053 0.5 ] [ 0.307257 0.82731 0.5 ] [ 0.82731 0.307257 0.5 ] [ 0.822421 0.822421 0 ] [ 0 0.645549 0 ] [ 0 0.177579 0 ] [ 0.17269 0.479947 0.5 ] [ 0.354451 0.354451 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 12.7503784314 "source-unit" "angstrom" } "c" { "source-value" 3.91094556 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.290554228611111 "source-unit" "eV" } }