{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.482514 ] [ 0.666667 0.333333 0.017486 ] [ 0.333333 0.666667 0.517486 ] [ 0.333333 0.666667 0.982514 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.675436 0.653785 0.883495 ] [ 0.346215 0.021652 0.883495 ] [ 0.978348 0.324564 0.883495 ] [ 0.346215 0.324564 0.616505 ] [ 0.978348 0.653785 0.616505 ] [ 0.675436 0.021652 0.616505 ] [ 0.324564 0.346215 0.116505 ] [ 0.653785 0.978348 0.116505 ] [ 0.324564 0.978348 0.383495 ] [ 0.021652 0.346215 0.383495 ] [ 0.653785 0.675436 0.383495 ] [ 0.021652 0.675436 0.116505 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.02587949191 "source-unit" "angstrom" } "c" { "source-value" 11.26503427 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.0151729970000005 "source-unit" "eV" } }