{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.28892 7.733532 7.389325 7.139241 6.942704 6.780781 6.643084 6.5233 6.4173 6.322236 6.236062 6.157256 6.084656 6.017357 5.954636 5.89591 5.840701 5.78861 5.739305 5.692503 5.647961 5.605472 5.564854 5.52595 5.499465 5.47159 5.442173 5.411031 5.37795 5.342673 5.304886 5.264207 5.220153 5.172115 5.119301 5.060652 4.99472 4.919435 4.831698 4.726557 4.595355 4.42076 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.288919999999999e-10 7.733532e-10 7.389325e-10 7.139241e-10 6.942704e-10 6.780781e-10 6.643084000000001e-10 6.523300000000001e-10 6.4173e-10 6.322236e-10 6.236062000000001e-10 6.157256e-10 6.084656e-10 6.017357e-10 5.954636e-10 5.89591e-10 5.840701000000001e-10 5.78861e-10 5.739305000000001e-10 5.692503000000001e-10 5.647961e-10 5.605472e-10 5.564854000000001e-10 5.52595e-10 5.499465e-10 5.47159e-10 5.442173000000001e-10 5.411031000000001e-10 5.37795e-10 5.342673e-10 5.304886e-10 5.264207e-10 5.220153e-10 5.172115e-10 5.119301e-10 5.060652e-10 4.99472e-10 4.919435e-10 4.831698e-10 4.726557e-10 4.5953549999999996e-10 4.4207599999999995e-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" [ 0.853751 1.07027 1.22039 1.36466 1.49621 1.6011 1.68601 1.76058 1.82704 1.88608 1.93801 1.98307 2.02138 2.05297 2.07795 2.09667 2.10987 2.11864 2.12447 2.12861 2.13162 2.13375 2.13502 2.13545 2.13524 2.13452 2.1332 2.13115 2.12823 2.12425 2.11895 2.11199 2.10292 2.0912 2.07621 2.05745 2.03447 2.0061 1.96803 1.91315 1.82231 1.50474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3678598921846209e-19 1.7147615719436162e-19 1.9552803262581122e-19 2.1864263473409283e-19 2.397192681807168e-19 2.56524498756288e-19 2.701285804435008e-19 2.820760115048064e-19 2.927240773266432e-19 3.021833280958464e-19 3.105034312876608e-19 3.177228391409856e-19 3.2386077777527046e-19 3.2892205372037766e-19 3.32924290919136e-19 3.3592356555327365e-19 3.380384386927296e-19 3.394435475891712e-19 3.4037761655909763e-19 3.410409176801088e-19 3.415231728429696e-19 3.4186443646320004e-19 3.420679128940416e-19 3.42136806488736e-19 3.421031607796992e-19 3.4198780406300167e-19 3.41776316749056e-19 3.41447870541792e-19 3.409800349685184e-19 3.4034236867344e-19 3.39493215064416e-19 3.3837810013633923e-19 3.3692492594127363e-19 3.3504717494169606e-19 3.3264551218711684e-19 3.2963982884649596e-19 3.259580269718976e-19 3.2141265189868804e-19 3.153131655033024e-19 3.06520420208352e-19 2.9196624778500485e-19 2.410859248382592e-19 ] } }