{ "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" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" ] } "a" { "source-value" [ 12.9422 12.075026 11.537586 11.147108 10.840239 10.587414 10.372417 10.185388 10.019881 9.87145 9.736898 9.613851 9.500495 9.395415 9.297484 9.20579 9.119587 9.038254 8.96127 8.888193 8.818647 8.752304 8.688884 8.62814 8.56673 8.503447 8.438172 8.370777 8.301118 8.22904 8.154366 8.076904 7.996438 7.912724 7.825489 7.734425 7.63918 7.53935 7.434473 7.32401 7.207334 7.083702 6.952234 6.811867 6.66131 6.498965 6.322831 6.130343 5.918152 5.68176 5.414927 5.108637 4.749162 4.31407 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2942200000000001e-09 1.2075026e-09 1.1537586e-09 1.1147108e-09 1.0840239000000002e-09 1.0587414e-09 1.0372417000000002e-09 1.0185388e-09 1.0019881e-09 9.87145e-10 9.736898000000001e-10 9.613851e-10 9.500495e-10 9.395415000000001e-10 9.297484000000001e-10 9.20579e-10 9.119586999999999e-10 9.038254000000001e-10 8.961270000000001e-10 8.888192999999999e-10 8.818647e-10 8.752304000000001e-10 8.688884e-10 8.628140000000001e-10 8.56673e-10 8.503447e-10 8.438172e-10 8.370777000000001e-10 8.301118000000001e-10 8.22904e-10 8.154366e-10 8.076904000000001e-10 7.996438000000001e-10 7.912724e-10 7.825489e-10 7.734425e-10 7.63918e-10 7.53935e-10 7.434473e-10 7.324010000000001e-10 7.207334000000001e-10 7.083702e-10 6.952234000000001e-10 6.811867000000001e-10 6.661310000000001e-10 6.498965e-10 6.322831e-10 6.130343e-10 5.918152e-10 5.68176e-10 5.414927e-10 5.108637e-10 4.749162e-10 4.3140700000000004e-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" [ 0.700451 1.04993 1.35709 1.6386 1.90174 2.14823 2.38076 2.59934 2.80466 2.99713 3.17718 3.34516 3.50061 3.64347 3.77416 3.89248 3.99774 4.08973 4.1682 4.23292 4.2836 4.31996 4.34235 4.34991 4.34137 4.31284 4.25903 4.17364 4.04782 3.87062 3.62787 3.30112 2.86612 2.29093 1.53211 0.531074 -0.791909 -2.55048 -4.90437 -8.08244 -12.4247 -18.4423 -26.9299 -39.1518 -57.1946 -84.6466 -127.972 -199.525 -324.588 -559.63 -1045.54 -2189.36 -5431.48 -17652.3 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.122246225461934e-19 1.6821733133356199e-19 2.1742978882350597e-19 2.6253266324724e-19 3.04692339194316e-19 3.4418439104578195e-19 3.81439804316184e-19 4.16460181182156e-19 4.49356071831444e-19 4.801931655060419e-19 5.090403558012119e-19 5.359537188991439e-19 5.60859554674674e-19 5.83748250067998e-19 6.04687096497744e-19 6.23644050431232e-19 6.405085616807159e-19 6.55246984536882e-19 6.678192645838799e-19 6.78188551759128e-19 6.8630838294024e-19 6.921338971814639e-19 6.9572117066498995e-19 6.96932416200294e-19 6.955641573548581e-19 6.909931474180559e-19 6.82371834950502e-19 6.686908486727759e-19 6.485322622637879e-19 6.20141692309308e-19 5.81248854518958e-19 5.28897733003008e-19 4.59203049424008e-19 3.6704745161296195e-19 2.45471084271774e-19 8.50874353724916e-20 -1.268778096054306e-19 -4.0863194614843194e-19 -7.857667018490579e-19 -1.294949651370696e-18 -1.9906564024459797e-18 -2.9547822137218197e-18 -4.31464565359566e-18 -6.27280991390412e-18 -9.16358517109764e-18 -1.356188046675444e-17 -2.0503374820624798e-17 -3.1967429289885e-17 -5.20047309276792e-17 -8.9662610968542e-17 -1.6751397579123598e-16 -3.50774143541424e-16 -8.702190344038318e-16 -2.82821025963582e-15 ] } }