{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.7858 7.264122 6.940807 6.705901 6.521294 6.369198 6.239859 6.127345 6.027779 5.938485 5.857541 5.783518 5.715325 5.652111 5.593196 5.538035 5.486177 5.437248 5.390936 5.346974 5.305136 5.265225 5.227073 5.19053 5.165652 5.13947 5.111838 5.082586 5.051513 5.018377 4.982884 4.944673 4.903294 4.858172 4.808562 4.753474 4.691544 4.620828 4.538416 4.439656 4.316418 4.15242 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.7858e-10 7.264122000000001e-10 6.940807000000001e-10 6.705901e-10 6.521294e-10 6.369198e-10 6.239859000000001e-10 6.127345e-10 6.027779e-10 5.938485e-10 5.857541e-10 5.783518e-10 5.715325000000001e-10 5.652111e-10 5.593196e-10 5.538035e-10 5.486177e-10 5.437248e-10 5.390936000000001e-10 5.346974e-10 5.305136000000001e-10 5.265225e-10 5.227073e-10 5.19053e-10 5.165652e-10 5.13947e-10 5.111838e-10 5.082586e-10 5.051513000000001e-10 5.018377e-10 4.982884e-10 4.944673e-10 4.903294e-10 4.858172e-10 4.808562000000001e-10 4.753474e-10 4.691544e-10 4.6208280000000004e-10 4.538416e-10 4.4396560000000006e-10 4.316418e-10 4.15242e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.646711 0.869535 1.03865 1.18752 1.33266 1.47903 1.61877 1.74251 1.84737 1.9353 2.0096 2.07331 2.12881 2.17791 2.22185 2.2614 2.29691 2.32834 2.35547 2.37798 2.3956 2.40815 2.41562 2.41808 2.41689 2.41295 2.40567 2.39428 2.37782 2.35506 2.3244 2.28374 2.23022 2.16001 2.06793 1.94683 1.78665 1.5734 1.28526 0.875206 0.246378 -0.84581 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0361452446141889e-19 1.393148647967328e-19 1.6641007471939202e-19 1.902616780732416e-19 2.1351566954753282e-19 2.3696672874618245e-19 2.5935554484524164e-19 2.791808783510208e-19 2.959813023967296e-19 3.10069241423424e-19 3.21973413715968e-19 3.3218088096708486e-19 3.410729612125248e-19 3.489396484206528e-19 3.55979612492448e-19 3.6231622102771204e-19 3.680055502081728e-19 3.730411913273472e-19 3.773878964995776e-19 3.809943960729984e-19 3.8381743127884804e-19 3.8582816293795204e-19 3.870249888736896e-19 3.874191243224064e-19 3.8722846530453123e-19 3.86597207715936e-19 3.8543082313599363e-19 3.8360594396490243e-19 3.809687612470656e-19 3.773222072581248e-19 3.72409933738752e-19 3.658954835985792e-19 3.573206343240576e-19 3.4607175226942085e-19 3.3131890994509443e-19 3.119165510672064e-19 2.86252885955232e-19 2.52086469516672e-19 2.0592135236494082e-19 1.4022345915838849e-19 3.9474107147946244e-20 -1.355137007638848e-19 ] } }