{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.8759 8.281183 7.9126 7.644806 7.434352 7.260961 7.113514 6.985248 6.871741 6.769945 6.677669 6.593282 6.515541 6.443476 6.376313 6.313429 6.25431 6.198531 6.145734 6.095617 6.047922 6.002423 5.958929 5.91727 5.875154 5.831754 5.786988 5.740768 5.692995 5.643563 5.592352 5.539227 5.484043 5.426631 5.366805 5.304352 5.239032 5.170568 5.098642 5.022885 4.942868 4.85808 4.767918 4.671653 4.568399 4.457062 4.336267 4.204257 4.058735 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.8759e-10 8.281183000000001e-10 7.9126e-10 7.644806e-10 7.434352e-10 7.260961e-10 7.113514000000001e-10 6.985248000000001e-10 6.871741000000001e-10 6.769945e-10 6.677669e-10 6.593282000000001e-10 6.515541000000001e-10 6.443476000000001e-10 6.376313e-10 6.313429e-10 6.254310000000001e-10 6.198531e-10 6.145734e-10 6.095617e-10 6.047922e-10 6.002423000000001e-10 5.958929000000001e-10 5.917270000000001e-10 5.875154e-10 5.831754e-10 5.786988e-10 5.740768000000001e-10 5.692995e-10 5.643563000000001e-10 5.592352e-10 5.539227e-10 5.484043e-10 5.426631e-10 5.366805e-10 5.304352e-10 5.239032e-10 5.170568000000001e-10 5.098642e-10 5.022885e-10 4.942868e-10 4.858080000000001e-10 4.767918e-10 4.671653e-10 4.5683990000000007e-10 4.457062e-10 4.3362670000000007e-10 4.2042570000000004e-10 4.0587350000000005e-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" [ 0.876108 2.01553 2.672 3.11217 3.44666 3.7205 3.95345 4.15502 4.33053 4.48352 4.61661 4.73196 4.83137 4.91644 4.98857 5.04903 5.09899 5.13949 5.17153 5.19602 5.21381 5.22566 5.23231 5.23439 5.23228 5.22576 5.21448 5.19804 5.17594 5.14749 5.11177 5.06766 5.01337 4.9434 4.84877 4.71729 4.53356 4.28107 3.94174 3.49338 2.90841 2.15064 1.1702 -0.104709 -1.78014 -4.01215 -7.0297 -11.1832 -17.0414 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.403679766460472e-19 3.2292350711260197e-19 4.281015966048e-19 4.986246055035779e-19 5.52215811734244e-19 5.960898166797e-19 6.3341252136873e-19 6.65707595780268e-19 6.93827397883602e-19 7.18339098207168e-19 7.396624670290739e-19 7.581435745022639e-19 7.740708124208579e-19 7.877005290462959e-19 7.99257029107338e-19 8.08943789036502e-19 8.169482634999659e-19 8.23437078867666e-19 8.285704528030019e-19 8.324941833796679e-19 8.353444556115539e-19 8.37243034922844e-19 8.383084823844539e-19 8.38641735124326e-19 8.383036758545519e-19 8.37259056689184e-19 8.354518014460319e-19 8.328178230597359e-19 8.292770126985959e-19 8.24718820174866e-19 8.18995845238218e-19 8.119286441056439e-19 8.032304271596579e-19 7.920199972515598e-19 7.76858599764018e-19 7.55793181380186e-19 7.263563900837039e-19 6.859030322518379e-19 6.315363725303159e-19 5.59701180968292e-19 4.65978654409194e-19 3.44570515614576e-19 1.8748670971067997e-19 -1.67762313169506e-20 -2.85209871324876e-19 -6.4281729821031e-19 -1.12628210840298e-18 -1.79174617333488e-18 -2.73033328906476e-18 ] } }