{ "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" [ 8.85435 8.261076 7.893388 7.626244 7.4163 7.243331 7.096241 6.968286 6.855055 6.753506 6.661453 6.577271 6.499719 6.427829 6.360829 6.298097 6.239122 6.183478 6.13081 6.080815 6.033234 5.987847 5.944458 5.9029 5.874608 5.844832 5.813408 5.780142 5.744804 5.707121 5.666757 5.623302 5.576243 5.524929 5.468511 5.405862 5.335433 5.255012 5.16129 5.048977 4.908825 4.72232 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.854350000000001e-10 8.261075999999999e-10 7.893388e-10 7.626244000000001e-10 7.4163e-10 7.243331000000001e-10 7.096241e-10 6.968286e-10 6.855055000000001e-10 6.753506e-10 6.661453e-10 6.577271e-10 6.499719e-10 6.427829e-10 6.360829e-10 6.298097e-10 6.239122e-10 6.183478000000001e-10 6.13081e-10 6.080815000000001e-10 6.033234000000001e-10 5.987847e-10 5.944458000000001e-10 5.9029e-10 5.874608e-10 5.844832e-10 5.813408e-10 5.780141999999999e-10 5.744804000000001e-10 5.707121e-10 5.666757e-10 5.623302e-10 5.576243e-10 5.524929e-10 5.468511000000001e-10 5.405862e-10 5.335433e-10 5.255012e-10 5.16129e-10 5.048977e-10 4.908825e-10 4.72232e-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" [ 0.491946 0.764924 0.986051 1.17852 1.34414 1.49172 1.62691 1.75022 1.86278 1.96719 2.06465 2.15543 2.23747 2.31125 2.37791 2.43768 2.49056 2.53648 2.57507 2.60554 2.62846 2.64485 2.65477 2.65818 2.65629 2.64959 2.63641 2.61517 2.58405 2.54048 2.48071 2.39931 2.2888 2.1374 1.92475 1.61937 1.16938 0.484862 -0.59393 -2.3745 -5.49393 -11.5691 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.881843863897639e-20 1.225543359585816e-19 1.579827872132334e-19 1.8881972067016798e-19 2.1535497008247597e-19 2.3899989284704795e-19 2.60659718762094e-19 2.80416158835948e-19 2.98450259028252e-19 3.1517858526384597e-19 3.3079339873880995e-19 3.4533795822226195e-19 3.58482215327598e-19 3.7030307453324993e-19 3.8098318397549395e-19 3.9055939371691194e-19 3.9903170375750395e-19 4.06388898860832e-19 4.1257169849143803e-19 4.17453530695236e-19 4.21125719540364e-19 4.2375168704348994e-19 4.25341046264418e-19 4.25887388496612e-19 4.2558457711278593e-19 4.2451111876800597e-19 4.22399449964394e-19 4.1899642679377797e-19 4.1401045310876995e-19 4.07029769514432e-19 3.97453559773014e-19 3.8441184197225394e-19 3.6670618798992e-19 3.4244923375115996e-19 3.0837894762914997e-19 2.59451677580058e-19 1.87355331226692e-19 7.76834567114508e-20 -9.515807682316198e-20 -3.8043684174329996e-19 -8.802246274831618e-19 -1.85357416964094e-18 ] } }