{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.725 11.872379 11.343959 10.960034 10.658315 10.409732 10.198344 10.014453 9.851724 9.705784 9.573491 9.452509 9.341055 9.237738 9.14145 9.051296 8.966539 8.886571 8.810879 8.739029 8.670649 8.605421 8.543065 8.48334 8.422961 8.360739 8.29656 8.230296 8.161807 8.090937 8.017517 7.941355 7.862239 7.77993 7.69416 7.604624 7.510977 7.412822 7.309705 7.201096 7.086378 6.964821 6.835559 6.697548 6.549518 6.389898 6.216719 6.027462 5.818832 5.586407 5.324052 5.022902 4.66946 4.24167 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2725000000000001e-09 1.1872379e-09 1.1343959e-09 1.0960034e-09 1.0658315e-09 1.0409732e-09 1.0198344000000001e-09 1.0014453e-09 9.851724000000002e-10 9.705784e-10 9.573491000000001e-10 9.452508999999999e-10 9.341055000000002e-10 9.237738000000001e-10 9.141450000000002e-10 9.051296000000001e-10 8.966538999999999e-10 8.886571e-10 8.810879000000001e-10 8.739029e-10 8.670648999999999e-10 8.605421000000001e-10 8.543065e-10 8.48334e-10 8.422961000000001e-10 8.360739000000001e-10 8.29656e-10 8.230296e-10 8.161807e-10 8.090937000000001e-10 8.017517e-10 7.941355e-10 7.862239e-10 7.77993e-10 7.694160000000001e-10 7.604624e-10 7.510977e-10 7.412822e-10 7.309705000000001e-10 7.201096e-10 7.086378e-10 6.964821e-10 6.835559e-10 6.697548000000001e-10 6.549518000000001e-10 6.389898e-10 6.216719000000001e-10 6.027462e-10 5.818831999999999e-10 5.586407000000001e-10 5.324052e-10 5.022902e-10 4.66946e-10 4.24167e-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" [ 0.00369413 0.00575476 0.00771822 0.00972241 0.0116094 0.0133941 0.0150838 0.0166816 0.0181885 0.019697 0.0211295 0.0224688 0.0237131 0.0248606 0.0259091 0.0268566 0.0277008 0.0284397 0.0290708 0.0295921 0.0300013 0.0302962 0.0304747 0.0305347 0.0304672 0.0302418 0.0298179 0.0291442 0.0281563 0.0267979 0.024946 0.0224607 0.0191671 0.0148362 0.00916639 0.00175554 -0.00793741 -0.0205853 -0.037225 -0.0593067 -0.0888511 -0.128786 -0.183438 -0.259352 -0.36645 -0.521039 -0.74999 -1.09951 -1.65369 -2.57358 -4.1919 -7.26358 -13.7216 -29.4286 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.91864876895842e-22 9.220142006277839e-22 1.2365951740071479e-21 1.557701812816794e-21 1.86003094147596e-21 2.14597140534594e-21 2.4166911911929196e-21 2.67268697377344e-21 2.9141189707509e-21 3.1558073159897996e-21 3.3853191188102996e-21 3.59989863540192e-21 3.79925747397054e-21 3.9831072427220395e-21 4.15109546279694e-21 4.30290169886844e-21 4.43815745031072e-21 4.556542281796979e-21 4.65765564916872e-21 4.74117711709914e-21 4.80673818496242e-21 4.85398637389908e-21 4.88258522681598e-21 4.89219828661998e-21 4.88138359434048e-21 4.845270533010119e-21 4.77735426549486e-21 4.66941562566228e-21 4.5111365959894196e-21 4.29349692202686e-21 3.9967898311764e-21 3.59860087232838e-21 3.07090797615414e-21 2.37702129773508e-21 1.468617587613126e-21 2.81268516805236e-22 -1.271713283647794e-21 -3.2981286663880198e-21 -5.964102520065e-21 -9.501980897964779e-21 -1.423551563251974e-20 -2.06337919986324e-20 -2.9390007738769195e-20 -4.1552771438116804e-20 -5.871176275292999e-20 -8.34796511202726e-20 -1.20161645373366e-19 -1.7616092308493398e-19 -2.64950347787946e-19 -4.12332974172972e-19 -6.7161642320646e-19 -1.1637538155189719e-18 -2.19844269010944e-18 -4.714981529133239e-18 ] } }