{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.21448 8.597076 8.214434 7.936425 7.717943 7.537938 7.384866 7.251707 7.13387 7.028192 6.932395 6.844789 6.764083 6.689268 6.619544 6.554261 6.492886 6.43498 6.380169 6.328141 6.278625 6.231392 6.186238 6.14299 6.099268 6.054212 6.007738 5.959755 5.91016 5.858842 5.805677 5.750527 5.693237 5.633635 5.571527 5.506692 5.43888 5.367804 5.293134 5.214488 5.131418 5.043396 4.949794 4.849857 4.742665 4.627081 4.501678 4.364633 4.213559 4.045255 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.21448e-10 8.597076e-10 8.214434000000001e-10 7.936425e-10 7.717943e-10 7.537938e-10 7.384866e-10 7.251707e-10 7.13387e-10 7.028192e-10 6.932395e-10 6.844789e-10 6.764083e-10 6.689268e-10 6.619544e-10 6.554261000000001e-10 6.492886000000001e-10 6.434980000000001e-10 6.380169000000001e-10 6.328141e-10 6.278625e-10 6.231391999999999e-10 6.186238000000001e-10 6.14299e-10 6.099268000000001e-10 6.054212e-10 6.007738e-10 5.959755000000001e-10 5.910160000000001e-10 5.858842e-10 5.805677000000001e-10 5.750527e-10 5.693237e-10 5.633635e-10 5.571527e-10 5.506692000000001e-10 5.438880000000001e-10 5.367804e-10 5.293134000000001e-10 5.214488e-10 5.131418e-10 5.043396e-10 4.949794e-10 4.849857000000001e-10 4.742665e-10 4.6270810000000006e-10 4.5016780000000003e-10 4.364633000000001e-10 4.213559e-10 4.045255e-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" [ 0.366997 0.594283 0.787292 0.969056 1.12608 1.26795 1.39662 1.51352 1.61975 1.71619 1.80355 1.88932 1.96248 2.02667 2.08366 2.12705 2.16629 2.20056 2.23084 2.25524 2.27394 2.28711 2.29491 2.29748 2.29467 2.28548 2.26859 2.2424 2.20496 2.15388 2.08622 1.99834 1.88733 1.74429 1.56141 1.3336 1.04804 0.688451 0.235176 -0.335938 -1.06587 -1.99966 -3.20558 -4.78276 -6.86067 -9.6474 -13.4582 -18.776 -26.4024 -37.6977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.87994018148098e-20 9.521463365834219e-20 1.261380846535128e-19 1.552598880237504e-19 1.8041790640147197e-19 2.0314798630802998e-19 2.2376319305770797e-19 2.4249263790916796e-19 2.5951256029215e-19 2.74963951750446e-19 2.8896056682507e-19 3.02702435814888e-19 3.1442396006923197e-19 3.24708331882878e-19 3.3383913652004397e-19 3.4079098093497e-19 3.47077922046786e-19 3.5256858137150396e-19 3.57419972219256e-19 3.6132928320621597e-19 3.6432535351179597e-19 3.66435420138774e-19 3.6768511791329393e-19 3.68096877308232e-19 3.6764666567407795e-19 3.66174265347432e-19 3.63468189012606e-19 3.5927208840815995e-19 3.5327353909046393e-19 3.4508962084399196e-19 3.3424929373834797e-19 3.20169365478756e-19 3.02383602664722e-19 2.7946606809198597e-19 2.50165461809394e-19 2.1366627591023998e-19 1.67914519949736e-19 1.103020105853934e-19 3.7679349207758394e-20 -5.38232014072692e-20 -1.70771200888158e-19 -3.2038085279444397e-19 -5.135905374417719e-19 -7.662826318029839e-19 -1.099200516758478e-18 -1.5456838858851598e-18 -2.1562413575698796e-18 -3.0082468479983997e-18 -4.23013083615216e-18 -6.039837409554179e-18 ] } }