{ "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" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" ] } "a" { "source-value" [ 11.8639 11.068972 10.576307 10.218359 9.937056 9.705294 9.508209 9.336761 9.185043 9.048978 8.925636 8.81284 8.708928 8.612602 8.52283 8.438775 8.359754 8.285197 8.214626 8.147638 8.083885 8.02307 7.964934 7.90925 7.871342 7.831446 7.78934 7.744767 7.697419 7.646927 7.592843 7.534619 7.471565 7.402809 7.327216 7.243273 7.148905 7.04115 6.915573 6.765085 6.577296 6.3274 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1863899999999999e-09 1.1068972000000001e-09 1.0576307e-09 1.0218359e-09 9.937056000000001e-10 9.705294e-10 9.508209000000001e-10 9.336761e-10 9.185043000000001e-10 9.048978000000001e-10 8.925636000000001e-10 8.81284e-10 8.708928e-10 8.612602000000001e-10 8.522830000000001e-10 8.438775e-10 8.359754000000001e-10 8.285197000000001e-10 8.214626000000001e-10 8.147638000000001e-10 8.083885000000001e-10 8.023070000000001e-10 7.964934000000001e-10 7.90925e-10 7.871342e-10 7.831446e-10 7.789340000000001e-10 7.744767000000001e-10 7.697419000000001e-10 7.646927e-10 7.592843e-10 7.534619000000001e-10 7.471565000000001e-10 7.402809e-10 7.327216e-10 7.243273000000001e-10 7.148905000000001e-10 7.04115e-10 6.915573e-10 6.765085e-10 6.577295999999999e-10 6.3274e-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" [ 1.11501 1.37745 1.55748 1.69366 1.80171 1.88986 1.96302 2.02443 2.07632 2.12032 2.15766 2.18931 2.21601 2.23839 2.25694 2.30783 2.34368 2.35714 2.368 2.37651 2.38286 2.38721 2.38973 2.39054 2.39015 2.38889 2.38656 2.38295 2.37775 2.37061 2.36104 2.3484 2.33184 2.31019 2.28178 2.24422 2.27186 2.2117 2.12413 1.99326 1.7848 1.41589 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.78644296867634e-19 2.2069182045033e-19 2.4953580639223197e-19 2.71354247794044e-19 2.8866576632441396e-19 3.02788953353124e-19 3.14510477607468e-19 3.24349444316862e-19 3.3266313887068797e-19 3.39712716060288e-19 3.45695243611644e-19 3.5076613265825393e-19 3.5504394427103395e-19 3.5862961557792594e-19 3.61601653233996e-19 3.69755130124422e-19 3.7549893335731196e-19 3.7765546310667594e-19 3.7939542693119995e-19 3.80758879246734e-19 3.8177626140932397e-19 3.82473208245114e-19 3.82876956756882e-19 3.8300673306423598e-19 3.8294424817551e-19 3.8274237391962597e-19 3.8236906676390395e-19 3.8179068099903e-19 3.8095754914934996e-19 3.79813595032674e-19 3.78280311993936e-19 3.7625516072855995e-19 3.73601956222656e-19 3.7013324381004595e-19 3.6558145999285196e-19 3.59563684555548e-19 3.63992100771924e-19 3.5435340614177996e-19 3.40323145357842e-19 3.19355459748684e-19 2.8595648563631997e-19 2.26850587431426e-19 ] } }