{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.3505 4.991997 4.769811 4.608381 4.481516 4.376994 4.288111 4.210791 4.142367 4.081004 4.025378 3.974508 3.927645 3.884204 3.843717 3.80581 3.770172 3.736547 3.704721 3.67451 3.645758 3.618332 3.592113 3.567 3.549904 3.531911 3.512922 3.49282 3.471466 3.448695 3.424303 3.398045 3.369608 3.3386 3.304508 3.26665 3.224091 3.175495 3.11886 3.050992 2.966301 2.8536 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3505e-10 4.991997e-10 4.769811e-10 4.608381e-10 4.4815160000000004e-10 4.376994e-10 4.288111e-10 4.2107910000000003e-10 4.1423670000000004e-10 4.0810040000000004e-10 4.025378e-10 3.974508e-10 3.9276450000000003e-10 3.884204e-10 3.843717e-10 3.8058100000000005e-10 3.7701720000000005e-10 3.736547e-10 3.704721e-10 3.67451e-10 3.645758e-10 3.618332e-10 3.592113e-10 3.567e-10 3.549904e-10 3.5319110000000004e-10 3.512922e-10 3.49282e-10 3.471466e-10 3.448695e-10 3.424303e-10 3.3980450000000004e-10 3.369608e-10 3.3386e-10 3.304508e-10 3.26665e-10 3.224091e-10 3.1754950000000005e-10 3.11886e-10 3.050992e-10 2.966301e-10 2.8536000000000004e-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" [ 3.31191 4.09606 4.63828 5.05608 5.39552 5.6799 5.92281 6.13293 6.3162 6.47685 6.61803 6.74215 6.85112 6.94645 7.02939 7.10096 7.16202 7.21332 7.25547 7.28903 7.31447 7.3322 7.3426 7.346 7.34436 7.33898 7.32905 7.31358 7.29127 7.26047 7.21903 7.16407 7.09171 6.9966 6.87111 6.70411 6.47867 6.16781 5.72588 5.06926 4.02647 2.18115 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.306264772193729e-19 6.562611569394048e-19 7.431343776724224e-19 8.100733168894464e-19 8.644576001058817e-19 9.100202988481921e-19 9.489387711440449e-19 9.826037063002944e-19 1.0119667972296961e-18 1.037705764642848e-18 1.0603252941753025e-18 1.080211510392672e-18 1.0976704290295296e-18 1.112943978755616e-18 1.1262324316485313e-18 1.1376992097235969e-18 1.1474821001702018e-18 1.1557012662349056e-18 1.1624544406915777e-18 1.1678313454309826e-18 1.1719072827542977e-18 1.1747479419029761e-18 1.1764142055886082e-18 1.1769589456396801e-18 1.1766961886738688e-18 1.1758342176518786e-18 1.174243256267424e-18 1.1717646890350465e-18 1.1681902329940417e-18 1.1632555290019777e-18 1.1566161090853825e-18 1.1478105463774657e-18 1.1362171963493569e-18 1.120978894508928e-18 1.1008731800945089e-18 1.0741168305271489e-18 1.0379973607878337e-18 9.88192098353645e-19 9.173871069506306e-19 8.121849856756608e-19 6.451116098352576e-19 3.4945875364579204e-19 ] } }