{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.621688 0.125749 0.75 ] [ 0.50406 0.378312 0.75 ] [ 0.378312 0.874251 0.25 ] [ 0.874251 0.49594 0.75 ] [ 0.49594 0.621688 0.25 ] [ 0.125749 0.50406 0.25 ] [ 0.722665 0.669809 0.75 ] [ 0.277335 0.330191 0.25 ] [ 0.669809 0.947144 0.25 ] [ 0.947144 0.277335 0.75 ] [ 0.052856 0.722665 0.25 ] [ 0.330191 0.052856 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" ] } "a" { "source-value" 10.5307189536 "source-unit" "angstrom" } "c" { "source-value" 3.58312764 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.887759707857143 "source-unit" "eV" } }