{ "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" [ 8.9529 8.353023 7.981243 7.711125 7.498845 7.32395 7.175223 7.045844 6.931352 6.828674 6.735596 6.650477 6.572062 6.499371 6.431626 6.368196 6.308564 6.252301 6.199046 6.148495 6.100385 6.054492 6.010621 5.9686 5.939993 5.909886 5.878112 5.844475 5.808745 5.770642 5.729828 5.68589 5.638308 5.586422 5.529376 5.46603 5.394817 5.313501 5.218736 5.105172 4.96346 4.77488 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.9529e-10 8.353023e-10 7.981243000000001e-10 7.711125e-10 7.498845000000001e-10 7.32395e-10 7.175223e-10 7.045844e-10 6.931352000000001e-10 6.828674e-10 6.735596000000001e-10 6.650477000000001e-10 6.572062e-10 6.499371e-10 6.431626e-10 6.368196000000001e-10 6.308564e-10 6.252301000000001e-10 6.199046e-10 6.148494999999999e-10 6.100385e-10 6.054492e-10 6.010621e-10 5.9686e-10 5.939993e-10 5.909886e-10 5.878112e-10 5.844475e-10 5.808745000000001e-10 5.770642e-10 5.729828000000001e-10 5.68589e-10 5.638308000000001e-10 5.586422e-10 5.529376e-10 5.46603e-10 5.394817e-10 5.313501e-10 5.218736e-10 5.105171999999999e-10 4.96346e-10 4.77488e-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" [ 0.688364 0.991466 1.24112 1.46056 1.65649 1.83147 1.98736 2.12615 2.25003 2.3609 2.46025 2.54923 2.62878 2.6996 2.76221 2.81703 2.86442 2.90467 2.93808 2.9649 2.98537 2.99973 3.00819 3.01097 3.00962 3.00515 2.99685 2.98377 2.96473 2.93818 2.90205 2.85359 2.78899 2.70294 2.58771 2.43184 2.21757 1.91611 1.47757 0.807539 -0.296318 -2.35674 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1028807074003713e-19 1.5885036455180929e-19 1.9884934476072961e-19 2.3400750852756483e-19 2.653989550588992e-19 2.934338415696576e-19 3.184101729113088e-19 3.40646782231392e-19 3.6049454620986244e-19 3.78257878404672e-19 3.9417550313232e-19 4.0843167070419844e-19 4.211769857226624e-19 4.3252360055116805e-19 4.425548283739968e-19 4.5133796060922245e-19 4.589306756151936e-19 4.653794365139136e-19 4.707323086040064e-19 4.75029346300992e-19 4.783090018437696e-19 4.806097274712384e-19 4.819651688924352e-19 4.824105739930176e-19 4.821942801492096e-19 4.81478107199712e-19 4.80148300604448e-19 4.780526535844416e-19 4.750021092984384e-19 4.707483303702144e-19 4.64959666239264e-19 4.571955183348673e-19 4.468454573644992e-19 4.330587275425152e-19 4.145968463410368e-19 3.896237193526272e-19 3.552938808987456e-19 3.069946644881088e-19 2.3673281095954563e-19 1.2938201061842113e-19 -4.747537719222145e-20 -3.775913729304192e-19 ] } }