{ "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" [ 8.01756 7.480354 7.147415 6.905517 6.715415 6.558792 6.425603 6.30974 6.20721 6.115259 6.031905 5.955679 5.885456 5.82036 5.759692 5.702889 5.649487 5.599102 5.551411 5.506141 5.463057 5.421959 5.382671 5.34504 5.319422 5.29246 5.264005 5.233883 5.201885 5.167763 5.131213 5.091865 5.049254 5.002789 4.951703 4.894975 4.831201 4.75838 4.673515 4.571816 4.444909 4.27603 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01756e-10 7.480354e-10 7.147415e-10 6.905517e-10 6.715415e-10 6.558792000000001e-10 6.425603e-10 6.30974e-10 6.20721e-10 6.115259e-10 6.031905e-10 5.955679e-10 5.885455999999999e-10 5.820360000000001e-10 5.759692000000001e-10 5.702889e-10 5.649487e-10 5.599102e-10 5.551411e-10 5.506141000000001e-10 5.463057e-10 5.421959000000001e-10 5.382671e-10 5.34504e-10 5.319422e-10 5.292460000000001e-10 5.264005e-10 5.233883e-10 5.201885e-10 5.167763e-10 5.131213e-10 5.091865000000001e-10 5.049254e-10 5.002789e-10 4.951703e-10 4.894974999999999e-10 4.831201e-10 4.75838e-10 4.673515e-10 4.571816e-10 4.444909e-10 4.276030000000001e-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" [ 0.695826 1.12137 1.40621 1.59148 1.69807 1.75551 1.79004 1.81279 1.82795 1.83848 1.85025 1.86709 1.89028 1.91651 1.94195 1.96521 1.98665 2.00663 2.02544 2.04311 2.05857 2.07056 2.07817 2.08075 2.07948 2.0753 2.06782 2.05687 2.04232 2.02401 2.00175 1.97532 1.94447 1.90746 1.85958 1.79306 1.69501 1.54355 1.30039 0.745835 -0.364125 -2.47435 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1148361493447807e-19 1.796632797266496e-19 2.252996785935168e-19 2.5498320484707843e-19 2.720608054481856e-19 2.812637079580608e-19 2.867960238296832e-19 2.904409756420032e-19 2.92869875399136e-19 2.945569673808384e-19 2.9644272926352e-19 2.991407946929472e-19 3.028562422765824e-19 3.070587515529408e-19 3.1113468887625605e-19 3.148613516962368e-19 3.1829641837123203e-19 3.214975672595904e-19 3.2451126148331524e-19 3.2734230757226883e-19 3.298192726280256e-19 3.317402823963648e-19 3.3295953880479363e-19 3.3337290037296004e-19 3.3316942394211844e-19 3.32499714114624e-19 3.3130128600226567e-19 3.2954690260248964e-19 3.2721573561922564e-19 3.2428215022654083e-19 3.2071570506864e-19 3.1648115225986563e-19 3.115384373846976e-19 3.056087817111168e-19 2.979375600507264e-19 2.8727988116916485e-19 2.715705394022208e-19 2.47303972303584e-19 2.083454455922112e-19 1.194959399974368e-19 -5.833925620488e-20 -3.96434572167648e-19 ] } }