{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.71525 4.399311 4.203504 4.061241 3.949438 3.857326 3.778996 3.710855 3.650556 3.596477 3.547456 3.502626 3.461327 3.423043 3.387363 3.353956 3.32255 3.292918 3.26487 3.238246 3.212908 3.188737 3.165631 3.1435 3.128434 3.112577 3.095842 3.078127 3.059309 3.039241 3.017745 2.994604 2.969544 2.942217 2.912173 2.87881 2.841304 2.798477 2.748567 2.688756 2.61412 2.5148 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.71525e-10 4.399311e-10 4.2035039999999997e-10 4.061241e-10 3.949438e-10 3.857326e-10 3.778996e-10 3.710855e-10 3.650556e-10 3.5964770000000004e-10 3.547456e-10 3.502626e-10 3.461327e-10 3.4230429999999997e-10 3.387363e-10 3.3539560000000004e-10 3.32255e-10 3.292918e-10 3.2648700000000005e-10 3.2382460000000004e-10 3.2129080000000003e-10 3.1887370000000005e-10 3.165631e-10 3.1435e-10 3.1284340000000003e-10 3.112577e-10 3.095842e-10 3.078127e-10 3.0593089999999997e-10 3.0392410000000004e-10 3.017745e-10 2.994604e-10 2.969544e-10 2.942217e-10 2.912173e-10 2.87881e-10 2.841304e-10 2.798477e-10 2.748567e-10 2.688756e-10 2.6141200000000005e-10 2.5148000000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.46258 2.18108 2.76605 3.26468 3.69989 4.08463 4.42698 4.73289 5.00763 5.25482 5.47743 5.67683 5.85443 6.01177 6.15012 6.2706 6.37419 6.46174 6.5343 6.593 6.63777 6.66915 6.68764 6.69371 6.69075 6.68095 6.66268 6.63423 6.59314 6.53537 6.45621 6.34932 6.20587 6.0134 5.75377 5.39968 4.90838 4.21017 3.18092 1.58506 -1.08305 -6.15794 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.343311482049664e-19 3.4944753840944644e-19 4.43170064196384e-19 5.230593970393344e-19 5.927877257531712e-19 6.544298690618304e-19 7.092803856749185e-19 7.582925706818113e-19 8.023107711616705e-19 8.419149750512256e-19 8.775810288068544e-19 9.095284306256064e-19 9.379830874110145e-19 9.631917343626816e-19 9.853578479114497e-19 1.004660871838848e-18 1.0212578194537153e-18 1.0352848757688192e-18 1.046910269329344e-18 1.05631504609344e-18 1.0634879908247616e-18 1.0685156210608321e-18 1.0714780456326914e-18 1.0724505668415168e-18 1.07197632256176e-18 1.070406189473376e-18 1.0674790127871745e-18 1.0629208203009984e-18 1.0563374765661312e-18 1.0470817022277698e-18 1.0343988720975167e-18 1.0172732061977856e-18 9.942899825724096e-19 9.634528891518721e-19 9.218555775460416e-19 8.651241055801344e-19 7.864091682002305e-19 6.745435943593536e-19 5.096395656635137e-19 2.539546074565248e-19 -1.73523738915744e-19 -9.866107500289153e-19 ] } }