{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.460488 0.539512 0.300301 ] [ 0.079024 0.539512 0.300301 ] [ 0.920976 0.460488 0.800301 ] [ 0.252486 0.126243 0.501431 ] [ 0.539512 0.079024 0.800301 ] [ 0.747514 0.873757 0.001431 ] [ 0.666667 0.333333 0.285954 ] [ 0.126243 0.873757 0.001431 ] [ 0.460488 0.920976 0.300301 ] [ 0.539512 0.460488 0.800301 ] [ 0.873757 0.126243 0.501431 ] [ 0.126243 0.252486 0.001431 ] [ 0.873757 0.747514 0.501431 ] [ 0.333333 0.666667 0.785954 ] [ 0.812642 0.625284 0.050283 ] [ 0.812642 0.187358 0.050283 ] [ 0.625284 0.812642 0.550283 ] [ 0.374716 0.187358 0.050283 ] [ 0.187358 0.374716 0.550283 ] [ 0.187358 0.812642 0.550283 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Os" "Os" "Os" "Os" "Os" "Os" ] } "a" { "source-value" 10.0339131792 "source-unit" "angstrom" } "c" { "source-value" 6.34759459 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.891402078 "source-unit" "eV" } }