{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.33472 4.977274 4.755743 4.594789 4.468299 4.364086 4.275465 4.198372 4.13015 4.068968 4.013506 3.962787 3.916062 3.872748 3.832381 3.794585 3.759053 3.725527 3.693795 3.663673 3.635006 3.60766 3.581519 3.55648 3.539434 3.521494 3.502561 3.482518 3.461227 3.438523 3.414204 3.388022 3.359669 3.328752 3.294761 3.257015 3.214581 3.166127 3.10966 3.041991 2.957549 2.84518 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.33472e-10 4.977274000000001e-10 4.755743e-10 4.5947889999999996e-10 4.468299e-10 4.3640860000000007e-10 4.2754649999999996e-10 4.198372e-10 4.1301500000000005e-10 4.068968e-10 4.0135059999999995e-10 3.962787e-10 3.9160620000000003e-10 3.8727480000000003e-10 3.832381e-10 3.7945850000000004e-10 3.7590530000000005e-10 3.725527e-10 3.693795e-10 3.663673e-10 3.635006e-10 3.60766e-10 3.5815190000000004e-10 3.5564800000000004e-10 3.539434e-10 3.5214940000000004e-10 3.5025610000000004e-10 3.4825179999999997e-10 3.461227e-10 3.438523e-10 3.4142039999999997e-10 3.388022e-10 3.3596689999999997e-10 3.328752e-10 3.294761e-10 3.2570150000000004e-10 3.214581e-10 3.166127e-10 3.10966e-10 3.041991e-10 2.9575490000000005e-10 2.84518e-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" [ 2.64458 3.5357 4.18063 4.68668 5.10018 5.44626 5.74039 5.99292 6.21115 6.40048 6.56506 6.7081 6.8322 6.93949 7.03172 7.11036 7.17665 7.23168 7.27637 7.31154 7.33789 7.35605 7.36659 7.37 7.36836 7.36301 7.35313 7.33773 7.31553 7.28489 7.24365 7.18897 7.11699 7.02239 6.89761 6.73157 6.50746 6.1985 5.7594 5.10715 4.07168 2.24018 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2370842827437194e-19 5.664815924833799e-19 6.698107701399419e-19 7.508889187035119e-19 8.171389225194119e-19 8.72587051468884e-19 9.197118728047259e-19 9.60171639343128e-19 9.9513594002691e-19 1.025469950238432e-18 1.0518385732808039e-18 1.07475610785354e-18 1.09463911988148e-18 1.111828872987666e-18 1.1266057480830479e-18 1.139205265132824e-18 1.14982609403961e-18 1.158642872056512e-18 1.165802999433858e-18 1.1714378546556358e-18 1.175659590086226e-18 1.1785691428535698e-18 1.180257837025806e-18 1.180804179258e-18 1.180541422290024e-18 1.179684257790834e-18 1.178101307276442e-18 1.1756339552600818e-18 1.1720771231326019e-18 1.167168053926026e-18 1.16056067748741e-18 1.151799975652698e-18 1.140267508241166e-18 1.125110917283526e-18 1.105118957244474e-18 1.078516416413538e-18 1.0426100358689639e-18 9.931091865849e-19 9.2275761058596e-19 8.182556396333099e-19 6.523550557125119e-19 3.58916405195412e-19 ] } }