{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.762991 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.762991 0.762991 0.25 ] [ 0.762991 0 0.75 ] [ 0.237009 0 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.237009 0.237009 0.75 ] [ 0.333333 0.666667 0 ] [ 0 0.237009 0.25 ] [ 0.666667 0.333333 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.399934 0.399934 0.25 ] [ 0.600066 0.600066 0.75 ] [ 0.600066 0 0.25 ] [ 0.399934 0 0.75 ] [ 0 0.600066 0.25 ] [ 0 0.399934 0.75 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 9.13947424571 "source-unit" "angstrom" } "c" { "source-value" 6.68361607 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.944982694444445 "source-unit" "eV" } }