{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41998 5.056821 4.83175 4.668224 4.539712 4.433833 4.343795 4.265471 4.196159 4.133998 4.07765 4.02612 3.978649 3.934643 3.89363 3.855231 3.81913 3.785069 3.752829 3.722226 3.693101 3.665318 3.638759 3.61332 3.587603 3.561101 3.533765 3.505541 3.476369 3.446183 3.414912 3.382472 3.348774 3.313716 3.277183 3.239047 3.19916 3.157353 3.113432 3.067172 3.01831 2.966535 2.911479 2.852695 2.789645 2.721658 2.647895 2.567285 2.478423 2.379426 2.26768 2.139411 1.988869 1.80666 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41998e-10 5.056821e-10 4.83175e-10 4.668224000000001e-10 4.539712e-10 4.433833e-10 4.343795e-10 4.265471e-10 4.196159e-10 4.1339980000000003e-10 4.0776500000000004e-10 4.02612e-10 3.978649e-10 3.934643e-10 3.89363e-10 3.855231e-10 3.81913e-10 3.785069e-10 3.752829e-10 3.7222260000000004e-10 3.693101e-10 3.6653180000000003e-10 3.6387589999999997e-10 3.61332e-10 3.587603e-10 3.561101e-10 3.533765e-10 3.505541e-10 3.476369e-10 3.446183e-10 3.4149120000000005e-10 3.382472e-10 3.3487740000000004e-10 3.313716e-10 3.277183e-10 3.239047e-10 3.1991600000000004e-10 3.1573530000000004e-10 3.113432e-10 3.067172e-10 3.0183100000000004e-10 2.966535e-10 2.9114790000000003e-10 2.8526950000000004e-10 2.789645e-10 2.721658e-10 2.647895e-10 2.567285e-10 2.478423e-10 2.379426e-10 2.26768e-10 2.139411e-10 1.9888690000000002e-10 1.80666e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.08897 1.51691 1.8277 2.0847 2.29861 2.48033 2.6367 2.7724 2.89077 2.99433 3.08503 3.1644 3.2337 3.29396 3.34604 3.39067 3.42847 3.45999 3.4857 3.50601 3.52128 3.53185 3.538 3.54 3.53787 3.53099 3.51856 3.49963 3.47309 3.43758 3.39151 3.33295 3.25958 3.16858 3.05649 2.91904 2.75097 2.54566 2.29475 1.98759 1.61043 1.14531 0.568434 -0.152285 -1.0612 -2.22535 -3.75506 -5.84541 -8.86921 -13.6004 -21.7986 -37.8923 -74.4015 -171.693 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.74472228912698e-19 2.4303577578809396e-19 2.9282982339618e-19 3.3400576288998e-19 3.68277923267874e-19 3.9739267706092194e-19 4.2244591308677993e-19 4.4418745001016e-19 4.631524148268179e-19 4.79744556048522e-19 4.942762981189019e-19 5.0699277406296e-19 5.180958581365799e-19 5.27750574533064e-19 5.36094710442936e-19 5.432452247604779e-19 5.4930145243699795e-19 5.54351513187366e-19 5.584707093133799e-19 5.61724730057034e-19 5.641712537771519e-19 5.658647544792899e-19 5.668500931092e-19 5.67170528436e-19 5.66829264812958e-19 5.65726967288766e-19 5.637354617327039e-19 5.60702541364542e-19 5.564503645779059e-19 5.50761035350572e-19 5.433798075977339e-19 5.339974612290299e-19 5.22242291265372e-19 5.076624838959719e-19 4.89703686005466e-19 4.676817681711359e-19 4.40753985483498e-19 4.0785969701084397e-19 3.6765948308715e-19 3.18447025597206e-19 2.58019331669262e-19 1.83498892068654e-19 9.107316727711559e-20 -2.4398746870869e-20 -1.7002298440007997e-19 -3.5654037724719e-19 -6.016269391268039e-19 -9.36537931814994e-19 -1.421004102403914e-18 -2.1790243093053598e-18 -3.49252075739124e-18 -6.071015766851819e-18 -1.19204344834551e-17 -2.75082512821362e-17 ] } }