{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28 4.92622 4.706962 4.547659 4.422466 4.319322 4.23161 4.155308 4.087786 4.027231 3.972338 3.922139 3.875893 3.833024 3.793071 3.755663 3.720495 3.687313 3.655906 3.626094 3.597721 3.570655 3.544782 3.52 3.494947 3.469129 3.442499 3.415004 3.386586 3.35718 3.326716 3.295114 3.262286 3.228134 3.192545 3.155393 3.116536 3.075809 3.033023 2.987958 2.940357 2.88992 2.836285 2.77902 2.717597 2.651366 2.579509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28e-10 4.92622e-10 4.706962e-10 4.5476590000000006e-10 4.422466e-10 4.319322e-10 4.23161e-10 4.155308e-10 4.0877860000000003e-10 4.027231e-10 3.972338e-10 3.9221390000000004e-10 3.8758930000000004e-10 3.833024e-10 3.793071e-10 3.7556630000000004e-10 3.720495e-10 3.6873130000000003e-10 3.655906e-10 3.626094e-10 3.597721e-10 3.570655e-10 3.5447820000000005e-10 3.52e-10 3.494947e-10 3.4691290000000004e-10 3.4424990000000005e-10 3.4150040000000003e-10 3.386586e-10 3.3571800000000004e-10 3.326716e-10 3.295114e-10 3.2622860000000004e-10 3.228134e-10 3.192545e-10 3.155393e-10 3.116536e-10 3.075809e-10 3.0330230000000004e-10 2.987958e-10 2.940357e-10 2.88992e-10 2.836285e-10 2.77902e-10 2.717597e-10 2.651366e-10 2.579509e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.407704 0.88788 1.50483 2.11298 2.58329 2.92029 3.17027 3.37082 3.53657 3.67519 3.79217 3.8932 3.98332 4.06606 4.14203 4.2103 4.27 4.32083 4.36299 4.39651 4.42137 4.43799 4.44718 4.45 4.44713 4.43792 4.42158 4.39677 4.36098 4.31111 4.24325 4.15253 4.03402 3.88334 3.69707 3.47305 3.21092 2.91027 2.56951 2.18546 1.75652 1.31806 0.945974 0.766703 1.0631 2.57186 7.26098 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.53213822388336e-20 1.42254058979592e-19 2.41100346414222e-19 3.3853671841093195e-19 4.1388868768458594e-19 4.67882040250386e-19 5.07933251747118e-19 5.40064904141988e-19 5.66620981850538e-19 5.88830354351046e-19 6.075726166155779e-19 6.2375940714888e-19 6.38198222974488e-19 6.51454632444204e-19 6.63626368332702e-19 6.7456442821302e-19 6.841294227179999e-19 6.92273286548622e-19 6.990280632375659e-19 7.043985593147339e-19 7.083815704268579e-19 7.11044387992566e-19 7.1251678831921205e-19 7.1296860213e-19 7.125087774360419e-19 7.110331727561279e-19 7.084152161361718e-19 7.04440215907218e-19 6.987060257341319e-19 6.90715970860374e-19 6.798436002220499e-19 6.653086537984019e-19 6.46321258508868e-19 6.22179660987756e-19 5.92335916826238e-19 5.5644395587137e-19 5.14446099764328e-19 4.66276659263118e-19 4.11680888282934e-19 3.5014929465416396e-19 2.81425530115368e-19 2.11176493421004e-19 1.515617439171516e-19 1.228393631817702e-19 1.7032739796053998e-19 4.12057399791924e-19 1.163337249594132e-18 ] } }