{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.48043 7.91221 7.56005 7.304187 7.103109 6.937444 6.796566 6.674015 6.565565 6.468305 6.38014 6.299512 6.225235 6.156381 6.092211 6.032128 5.975643 5.922349 5.871905 5.824021 5.77845 5.734979 5.693423 5.65362 5.613381 5.571914 5.529143 5.484982 5.439338 5.392108 5.343178 5.292421 5.239695 5.184841 5.12768 5.06801 5.0056 4.940186 4.871465 4.799084 4.722631 4.641621 4.555476 4.463501 4.364847 4.258471 4.143058 4.016929 3.877891 3.722994 3.54815 3.347453 3.111906 2.82681 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.48043e-10 7.91221e-10 7.56005e-10 7.304187e-10 7.103109e-10 6.937444000000001e-10 6.796566000000001e-10 6.674015000000001e-10 6.565565000000001e-10 6.468305e-10 6.38014e-10 6.299512000000001e-10 6.225235e-10 6.156381e-10 6.092211e-10 6.032128e-10 5.975643e-10 5.922348999999999e-10 5.871905e-10 5.824021e-10 5.778450000000001e-10 5.734979e-10 5.693423e-10 5.65362e-10 5.613381000000001e-10 5.571913999999999e-10 5.529143e-10 5.484982e-10 5.439338000000001e-10 5.392108000000001e-10 5.343178e-10 5.292421000000001e-10 5.239695e-10 5.184841e-10 5.12768e-10 5.068010000000001e-10 5.005600000000001e-10 4.940186e-10 4.871465e-10 4.799084e-10 4.722631e-10 4.641621e-10 4.555476e-10 4.463501e-10 4.3648470000000003e-10 4.2584710000000004e-10 4.143058e-10 4.0169290000000003e-10 3.8778910000000004e-10 3.722994e-10 3.5481500000000003e-10 3.347453e-10 3.1119059999999997e-10 2.82681e-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" [ 0.00464399 0.311918 0.846431 1.3482 1.77316 2.12651 2.42058 2.66657 2.87348 3.04829 3.19644 3.32218 3.42885 3.51917 3.59531 3.65906 3.7119 3.75508 3.78963 3.81644 3.83627 3.84977 3.85752 3.86 3.85739 3.84909 3.83431 3.8121 3.7814 3.74091 3.68918 3.62469 3.54631 3.4522 3.33541 3.17774 2.94438 2.58064 2.00994 1.13184 -0.181027 -2.08756 -4.78469 -8.51562 -13.6253 -20.8391 -31.636 -48.4139 -74.5501 -114.547 -174.905 -270.024 -439.226 -803.369 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.440492266529659e-22 4.997477313240119e-20 1.356131970493254e-19 2.1600545379587998e-19 2.84091552034344e-19 3.40704463396734e-19 3.87819671672772e-19 4.27231614692538e-19 4.603822514266319e-19 4.88389901165586e-19 5.12126147998296e-19 5.322719169942119e-19 5.4936233514909e-19 5.63833194507378e-19 5.76032167398654e-19 5.862460434404039e-19 5.9471194477446e-19 6.016301434800719e-19 6.07165663750542e-19 6.11461099306296e-19 6.146382155715179e-19 6.168011540274179e-19 6.180428409187679e-19 6.1844018072399995e-19 6.180220126225259e-19 6.166922060163059e-19 6.143241889512539e-19 6.107657546471399e-19 6.0584707238076e-19 5.993598591896939e-19 5.910717994620119e-19 5.80739362349346e-19 5.68181501892054e-19 5.531034175894799e-19 5.3439159668099395e-19 5.09130077692716e-19 4.71741683761692e-19 4.1346411087657596e-19 3.2202789037419595e-19 1.81340760142656e-19 -2.90037229523118e-20 -3.3446398540730395e-19 -7.66591851893346e-19 -1.364352738802308e-18 -2.1830137291240196e-18 -3.3387919093589394e-18 -5.068645999322399e-18 -7.756761934081259e-18 -1.1944242828236339e-17 -1.83524526894798e-17 -2.8022870416976995e-17 -4.32626143419216e-17 -7.037176342452839e-17 -1.287139040279946e-16 ] } }