{ "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" [ 8.18436 7.635978 7.296112 7.049182 6.855124 6.695243 6.559284 6.44101 6.336347 6.242483 6.157395 6.079583 6.007899 5.941448 5.879519 5.821534 5.767021 5.715587 5.666904 5.620692 5.576712 5.534759 5.494653 5.45624 5.430089 5.402566 5.373519 5.34277 5.310107 5.275274 5.237965 5.197798 5.1543 5.106868 5.05472 4.996811 4.931711 4.857375 4.770745 4.66693 4.537382 4.36499 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18436e-10 7.635978e-10 7.296112e-10 7.049182e-10 6.855124e-10 6.695243e-10 6.559284e-10 6.441010000000001e-10 6.336347000000001e-10 6.242483000000001e-10 6.157395e-10 6.079583e-10 6.007899e-10 5.941448000000001e-10 5.879519e-10 5.821533999999999e-10 5.767021e-10 5.715587e-10 5.666904e-10 5.620692000000001e-10 5.576712e-10 5.534759000000001e-10 5.494653e-10 5.456240000000001e-10 5.430089e-10 5.402566e-10 5.373519e-10 5.34277e-10 5.310107e-10 5.275273999999999e-10 5.237965e-10 5.197798e-10 5.1543e-10 5.106868e-10 5.05472e-10 4.996811e-10 4.931711e-10 4.857375e-10 4.770745e-10 4.66693e-10 4.537382e-10 4.36499e-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" [ 0.288701 0.544802 0.813501 1.08897 1.36304 1.62571 1.86554 2.06901 2.22368 2.33179 2.40069 2.43902 2.45574 2.46187 2.46927 2.48518 2.5046 2.52555 2.54592 2.56349 2.57581 2.58203 2.58543 2.58629 2.58601 2.58371 2.57959 2.57321 2.56412 2.55168 2.53498 2.51276 2.48339 2.44507 2.39367 2.32469 2.23064 2.09931 1.90966 1.6225 1.15368 0.292696 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.625499926015808e-20 8.728690273650816e-20 1.3033722831974208e-19 1.744722274752576e-19 2.183830821215232e-19 2.604674554200768e-19 2.988924573167232e-19 3.3149194502014082e-19 3.562728108140544e-19 3.735939422615232e-19 3.846329391788352e-19 3.9077408216636166e-19 3.9345292147633925e-19 3.9443505574488957e-19 3.956206664442816e-19 3.9816972944797445e-19 4.01281156445568e-19 4.04637716466144e-19 4.0790135024271364e-19 4.1071637456545917e-19 4.1269025616228487e-19 4.1368681002042244e-19 4.1423155007149444e-19 4.1436933726088323e-19 4.143244763155008e-19 4.139559756927168e-19 4.1329587892494723e-19 4.122736902408768e-19 4.108173116925696e-19 4.0882420397629445e-19 4.061485690195584e-19 4.0258853256814083e-19 3.9788293983285123e-19 3.917433990219456e-19 3.8350821119103365e-19 3.724563968607552e-19 3.5738792574213123e-19 3.363465401811648e-19 3.059612605676928e-19 2.599531567248e-19 1.8483991238845441e-19 4.6895068820167685e-20 ] } }