{ "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" [ 8.10603 7.562896 7.226283 6.981716 6.789516 6.631165 6.496507 6.379365 6.275704 6.182738 6.098465 6.021397 5.950399 5.884585 5.823248 5.765817 5.711826 5.660885 5.612668 5.566898 5.523339 5.481787 5.442066 5.40402 5.365557 5.325921 5.285038 5.242827 5.199198 5.154053 5.107284 5.058767 5.008369 4.955937 4.9013 4.844264 4.784609 4.722084 4.656396 4.587211 4.514133 4.4367 4.354358 4.266443 4.172145 4.070465 3.960147 3.839587 3.706687 3.558629 3.391504 3.199667 2.974519 2.70201 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.106030000000001e-10 7.562896000000001e-10 7.226283e-10 6.981716e-10 6.789516e-10 6.631165e-10 6.496507e-10 6.379365e-10 6.275704000000001e-10 6.182737999999999e-10 6.098465e-10 6.021397000000001e-10 5.950399e-10 5.884585000000001e-10 5.823248000000001e-10 5.765817e-10 5.711826000000001e-10 5.660885000000001e-10 5.612668000000001e-10 5.566898e-10 5.523339e-10 5.481787e-10 5.442066e-10 5.40402e-10 5.365557e-10 5.325921000000001e-10 5.285038000000001e-10 5.242827e-10 5.199198e-10 5.154053e-10 5.107284000000001e-10 5.058767e-10 5.008369e-10 4.955937e-10 4.9013e-10 4.844264e-10 4.784609e-10 4.722084e-10 4.6563960000000003e-10 4.5872110000000003e-10 4.514133e-10 4.4367000000000003e-10 4.3543580000000005e-10 4.266443e-10 4.1721450000000004e-10 4.070465000000001e-10 3.960147e-10 3.839587e-10 3.706687e-10 3.558629e-10 3.391504e-10 3.199667e-10 2.974519e-10 2.70201e-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" [ 1.22527 1.80209 2.19411 2.51879 2.79684 3.08498 3.30477 3.49957 3.67279 3.82699 3.96421 4.08609 4.19398 4.28902 4.37218 4.44431 4.50615 4.55834 4.60146 4.63603 4.66251 4.68541 4.69596 4.6994 4.69569 4.68365 4.66177 4.62823 4.58087 4.51709 4.43377 4.32713 4.36494 4.21634 4.0299 3.79744 3.50869 3.15069 2.70686 2.15584 1.46974 0.641944 -0.451395 -1.84555 -3.78094 -6.19853 -9.4269 -13.9077 -20.5525 -29.9733 -45.1435 -69.7776 -115.931 -219.485 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.96309896434118e-19 2.88726649036506e-19 3.5153517744257397e-19 4.0355464839528597e-19 4.481031697036559e-19 4.94268287235732e-19 5.29482527474418e-19 5.606929283047379e-19 5.884458319588859e-19 6.13151395655166e-19 6.35136463426914e-19 6.54663792242106e-19 6.719496759463319e-19 6.87176762675868e-19 7.00500463564212e-19 7.120569636252539e-19 7.2196482392991e-19 7.30326583782756e-19 7.3723516942856405e-19 7.427738940523019e-19 7.47016457779134e-19 7.506854422709939e-19 7.52375738619864e-19 7.529268873819599e-19 7.523324798507459e-19 7.5040345918341e-19 7.468978967082179e-19 7.41524196277782e-19 7.339362877391579e-19 7.237176051675059e-19 7.103682694530179e-19 6.93282657828042e-19 6.993404876811959e-19 6.755321428999559e-19 6.456611617356599e-19 6.084169637016959e-19 5.62154113394946e-19 5.047961898977459e-19 4.336867843509239e-19 3.4540364746425595e-19 2.3547830860551597e-19 1.0285076771364958e-19 -7.232145217044299e-20 -2.9568970868787e-19 -6.05773372255596e-19 -9.931139931148018e-19 -1.51035589110546e-18 -2.22825919726818e-18 -3.2928735270284995e-18 -4.802252090387219e-18 -7.2327860876979e-18 -1.117960402965984e-17 -1.8574193935625398e-17 -3.5165373851349e-17 ] } }