{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.89593 8.29987 7.930456 7.662056 7.451127 7.277345 7.129565 7.001009 6.887246 6.785221 6.692735 6.608158 6.530242 6.458014 6.3907 6.327673 6.268421 6.212516 6.1596 6.10937 6.061566 6.015966 5.972373 5.93062 5.902195 5.87228 5.840708 5.807286 5.771782 5.733922 5.693369 5.64971 5.60243 5.550875 5.494193 5.43125 5.36049 5.279692 5.18553 5.07269 4.93188 4.7445 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.895930000000001e-10 8.29987e-10 7.930456000000001e-10 7.662056e-10 7.451127e-10 7.277345e-10 7.129565000000001e-10 7.001009e-10 6.887246e-10 6.785221e-10 6.692735e-10 6.608158000000001e-10 6.530242000000001e-10 6.458014e-10 6.3907e-10 6.327673e-10 6.268421e-10 6.212516e-10 6.1596e-10 6.10937e-10 6.061566000000001e-10 6.015966e-10 5.972373000000001e-10 5.93062e-10 5.902195e-10 5.87228e-10 5.840708000000001e-10 5.807286000000001e-10 5.771782e-10 5.733922e-10 5.693369e-10 5.64971e-10 5.60243e-10 5.550875e-10 5.494193e-10 5.43125e-10 5.36049e-10 5.279692e-10 5.185530000000001e-10 5.07269e-10 4.93188e-10 4.744500000000001e-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" [ 0.826397 1.19292 1.4936 1.78457 2.07696 2.36337 2.63446 2.88408 3.10945 3.31009 3.48692 3.6415 3.77564 3.92451 4.04309 4.12851 4.19991 4.25873 4.30614 4.34317 4.3707 4.38954 4.40039 4.40388 4.40222 4.3968 4.38686 4.37144 4.34932 4.31898 4.2784 4.22494 4.15506 4.06388 3.95302 3.79606 3.5844 3.29605 2.89126 2.29778 1.36878 -0.249075 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.324033963807698e-19 1.9112685502312798e-19 2.3930110205424e-19 2.85919635573738e-19 3.32765678175264e-19 3.78653619149658e-19 4.2208702552076395e-19 4.620805586586719e-19 4.981888134591299e-19 5.30334885443706e-19 5.586661748627279e-19 5.834326212711e-19 6.04924218639576e-19 6.28775822189934e-19 6.47774432715906e-19 6.614602255235341e-19 6.72899766690294e-19 6.823237696514819e-19 6.89919689073276e-19 6.95852549148978e-19 7.0026334142238e-19 7.03281842200836e-19 7.050202038487259e-19 7.055793634939919e-19 7.053134021727479e-19 7.044450224371199e-19 7.02852458862924e-19 7.003819024932959e-19 6.968378877788879e-19 6.919768838713319e-19 6.8547525109056e-19 6.769100148051959e-19 6.657140044868039e-19 6.51105357937992e-19 6.33343627773468e-19 6.08195863326204e-19 5.7428419269096e-19 5.2808542944957e-19 4.63230921481884e-19 3.6814494260725196e-19 2.19302733308652e-19 -3.9906214511354997e-20 ] } }