{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.448707 0 0.833333 ] [ 0.551293 0.551293 0.5 ] [ 0 0.448707 0.166667 ] [ 0.077534 0.433154 0.922238 ] [ 0.355619 0.922466 0.588905 ] [ 0.566846 0.644381 0.255572 ] [ 0.922466 0.355619 0.411095 ] [ 0.433154 0.077534 0.077762 ] [ 0.644381 0.566846 0.744428 ] [ 0 0.286374 0.666667 ] [ 0.286374 0 0.333333 ] [ 0.713626 0.713626 0 ] [ 0.532136 0.040593 0.448957 ] [ 0.508457 0.467864 0.115623 ] [ 0.959407 0.491543 0.78229 ] [ 0.893762 0.664042 0.335865 ] [ 0.22972 0.335958 0.330802 ] [ 0.106238 0.77028 0.997469 ] [ 0.77028 0.106238 0.002531 ] [ 0.467864 0.508457 0.884377 ] [ 0.335958 0.22972 0.669198 ] [ 0.040593 0.532136 0.551043 ] [ 0.491543 0.959407 0.21771 ] [ 0.664042 0.893762 0.664135 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 6.5972068518 "source-unit" "angstrom" } "c" { "source-value" 16.40473821 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.3072673945833335 "source-unit" "eV" } }