{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.83123 4.50752 4.306897 4.161134 4.046582 3.952204 3.871947 3.80213 3.740348 3.684939 3.634712 3.588779 3.546465 3.507239 3.470682 3.436453 3.404274 3.373913 3.345175 3.317896 3.291935 3.26717 3.243495 3.22082 3.197896 3.174273 3.149906 3.124748 3.098745 3.071839 3.043964 3.015048 2.98501 2.953761 2.921197 2.887203 2.851648 2.814383 2.775233 2.733998 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.83123e-10 4.5075200000000004e-10 4.3068970000000005e-10 4.1611339999999997e-10 4.046582e-10 3.9522040000000003e-10 3.8719470000000003e-10 3.80213e-10 3.7403480000000003e-10 3.684939e-10 3.634712e-10 3.588779e-10 3.5464650000000003e-10 3.5072390000000006e-10 3.470682e-10 3.4364530000000005e-10 3.4042740000000003e-10 3.373913e-10 3.345175e-10 3.3178960000000003e-10 3.291935e-10 3.26717e-10 3.2434949999999997e-10 3.22082e-10 3.197896e-10 3.1742730000000003e-10 3.149906e-10 3.124748e-10 3.098745e-10 3.071839e-10 3.043964e-10 3.015048e-10 2.98501e-10 2.953761e-10 2.921197e-10 2.887203e-10 2.851648e-10 2.814383e-10 2.775233e-10 2.7339980000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.732628 1.16942 1.5024 1.82953 2.10463 2.32157 2.5058 2.69032 2.87767 3.05973 3.22814 3.37091 3.48392 3.57254 3.64301 3.69932 3.74315 3.7769 3.80309 3.82366 3.83984 3.85256 3.8609 3.86384 3.86064 3.85018 3.8298 3.79532 3.74059 3.65691 3.53311 3.35662 3.11246 2.79005 2.38111 1.88403 1.30438 0.636349 -0.148124 -1.09593 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.173799463014152e-19 1.8736173993322798e-19 2.4071101749216e-19 2.9312302172020197e-19 3.3719890092154193e-19 3.71956520819538e-19 4.0147342094771995e-19 4.3103678419828796e-19 4.61053563436278e-19 4.90222791234882e-19 5.172050479280759e-19 5.400793237316939e-19 5.581855218725279e-19 5.723840112030359e-19 5.836745499428339e-19 5.92696406568888e-19 5.997187467557099e-19 6.0512609289546e-19 6.093221934999059e-19 6.126178708360439e-19 6.15210192629856e-19 6.172481613083039e-19 6.1858437662106e-19 6.19055416551456e-19 6.18542720028576e-19 6.168668432694119e-19 6.1360160728932e-19 6.08077302255288e-19 5.99308589537406e-19 5.859015754640939e-19 5.66066628735174e-19 5.377898133217079e-19 4.986710686259639e-19 4.470152917691699e-19 3.81495880498374e-19 3.01854884375502e-19 2.08984715785692e-19 1.019543498869266e-19 -2.37320811734616e-20 -1.75587343849962e-19 ] } }