{ "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" [ 5.30626481591094e-19 6.562611623462039e-19 7.43134383794952e-19 8.100733235634719e-19 8.64457607227968e-19 9.1002030634566e-19 9.48938778962154e-19 9.82603714395762e-19 1.01196680556708e-18 1.0377057731922899e-18 1.060325302911102e-18 1.0802115192923099e-18 1.097670438073008e-18 1.1129439879249298e-18 1.1262324409273259e-18 1.1376992190968639e-18 1.147482109624068e-18 1.155701275756488e-18 1.1624544502687978e-18 1.167831355052502e-18 1.171907292409398e-18 1.17474795158148e-18 1.17641421528084e-18 1.1769589553364e-18 1.176696198368424e-18 1.175834227339332e-18 1.1742432659417699e-18 1.171764698688972e-18 1.168190242618518e-18 1.1632555385857978e-18 1.156616118614502e-18 1.1478105558340378e-18 1.1362172057104139e-18 1.1209789037444399e-18 1.100873189164374e-18 1.074116839376574e-18 1.037997369339678e-18 9.88192106495154e-19 9.17387114508792e-19 8.12184992367084e-19 6.451116151501979e-19 3.4945875652491e-19 ] } }