{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43058 5.066712 4.841201 4.677355 4.548592 4.442506 4.352293 4.273815 4.204368 4.142086 4.085628 4.033997 3.986432 3.94234 3.901248 3.862773 3.826602 3.792475 3.760172 3.729509 3.700327 3.67249 3.645879 3.62039 3.603038 3.584776 3.565502 3.545099 3.523426 3.500313 3.475557 3.448905 3.420043 3.388571 3.353968 3.315544 3.272348 3.223024 3.165542 3.096657 3.010698 2.89631 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43058e-10 5.066712e-10 4.841201e-10 4.677355000000001e-10 4.548592e-10 4.442506e-10 4.3522930000000004e-10 4.273815e-10 4.2043679999999996e-10 4.1420860000000003e-10 4.085628e-10 4.0339970000000003e-10 3.986432e-10 3.9423400000000003e-10 3.9012479999999997e-10 3.862773e-10 3.826602e-10 3.7924750000000004e-10 3.760172e-10 3.729509e-10 3.7003270000000005e-10 3.67249e-10 3.645879e-10 3.62039e-10 3.603038e-10 3.5847760000000005e-10 3.565502e-10 3.545099e-10 3.5234260000000005e-10 3.500313e-10 3.475557e-10 3.448905e-10 3.4200430000000003e-10 3.388571e-10 3.353968e-10 3.315544e-10 3.272348e-10 3.223024e-10 3.165542e-10 3.096657e-10 3.010698e-10 2.89631e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.946543 1.36456 1.68796 1.95328 2.17749 2.37028 2.53788 2.68459 2.81356 2.92716 3.02726 3.11536 3.19268 3.26023 3.31887 3.36932 3.41223 3.44813 3.47752 3.50081 3.51838 3.53057 3.53768 3.54 3.53888 3.53521 3.5284 3.51775 3.50231 3.48089 3.45191 3.41325 3.36204 3.29426 3.20416 3.08327 2.91855 2.68903 2.35876 1.86093 1.05628 -0.400608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5165290651818946e-19 2.1862661296788483e-19 2.704410048845568e-19 3.129499549876224e-19 3.4887235700257923e-19 3.7976072007498246e-19 4.066132002395904e-19 4.3011873344334723e-19 4.507820053218048e-19 4.689827317340928e-19 4.850205197083009e-19 4.991356957375489e-19 5.115237253695745e-19 5.223464284430784e-19 5.317415921474497e-19 5.398245731993856e-19 5.466995130792384e-19 5.524513271479104e-19 5.571601242364417e-19 5.608915935862848e-19 5.637066179090304e-19 5.656596712097856e-19 5.667988187871745e-19 5.671705237632001e-19 5.669910799816704e-19 5.664030811618369e-19 5.653119988830721e-19 5.6360568078192e-19 5.611319200794048e-19 5.577000577576512e-19 5.530569499105728e-19 5.468629350945601e-19 5.386581886194432e-19 5.277986354836608e-19 5.133630241302528e-19 4.939943109614016e-19 4.67603257663584e-19 4.308300998629824e-19 3.7791501260782085e-19 2.981538538945344e-19 1.6923471210186243e-19 -6.418447717054464e-20 ] } }