{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.08002 7.538629 7.203096 6.959314 6.76773 6.609887 6.475661 6.358896 6.255567 6.162899 6.078896 6.002076 5.931306 5.865703 5.804562 5.747317 5.693499 5.642721 5.594659 5.549036 5.505616 5.464198 5.424604 5.38668 5.360862 5.33369 5.305014 5.274657 5.24241 5.208021 5.171187 5.131532 5.088589 5.041762 4.990278 4.933108 4.868837 4.795449 4.709923 4.607431 4.479535 4.30934 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.080019999999999e-10 7.538629e-10 7.203096e-10 6.959314e-10 6.767730000000001e-10 6.609887e-10 6.475661e-10 6.358895999999999e-10 6.255567e-10 6.162899e-10 6.078896e-10 6.002076e-10 5.931306000000001e-10 5.865703e-10 5.804562e-10 5.747317e-10 5.693499000000001e-10 5.642721e-10 5.594659000000001e-10 5.549036e-10 5.505616e-10 5.464198e-10 5.424604e-10 5.38668e-10 5.360862e-10 5.33369e-10 5.305014e-10 5.274657e-10 5.242409999999999e-10 5.208020999999999e-10 5.171187e-10 5.131532e-10 5.088589e-10 5.041762e-10 4.990278e-10 4.933108e-10 4.868837e-10 4.795449e-10 4.709923e-10 4.607431e-10 4.479535e-10 4.30934e-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" [ 0.00360095 0.241873 0.65636 1.04546 1.37499 1.649 1.87703 2.06779 2.22823 2.3638 2.47868 2.57618 2.6589 2.72894 2.78798 2.83742 2.8784 2.91188 2.93867 2.95946 2.97484 2.98531 2.99131 2.99324 2.99233 2.98936 2.98392 2.97551 2.96348 2.94701 2.92505 2.89619 2.85859 2.80992 2.7476 2.66804 2.56149 2.39769 2.09552 1.45837 0.0134233 -3.48152 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.76935790266976e-22 3.8752326580275845e-20 1.0516046468282882e-19 1.6750115699815682e-19 2.202976831833792e-19 2.6419892476992002e-19 3.007333582540224e-19 3.312964794724032e-19 3.5700180117651843e-19 3.7872250962470403e-19 3.9712831464445446e-19 4.1274953669725443e-19 4.2600274170451205e-19 4.3722438675659525e-19 4.466836375257985e-19 4.546047987390336e-19 4.611705185310721e-19 4.6653460585751045e-19 4.708268370246336e-19 4.741577622192769e-19 4.766219098620672e-19 4.782993887840448e-19 4.792606947565248e-19 4.795699148443393e-19 4.794241167718464e-19 4.789482703154688e-19 4.780766862337536e-19 4.767292556956608e-19 4.748018372208384e-19 4.721630523263808e-19 4.68644672467104e-19 4.640207907394752e-19 4.579966066452672e-19 4.501988130318336e-19 4.40214048331008e-19 4.274671311359232e-19 4.1039593924129923e-19 3.841522861925952e-19 3.3573931524188165e-19 2.336566318476096e-19 2.1506497433984644e-21 -5.578009948847617e-19 ] } }