{ "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" [ 4.86003 4.53439 4.332571 4.185939 4.070704 3.975764 3.895028 3.824796 3.762645 3.706906 3.656379 3.610173 3.567606 3.528146 3.491371 3.456938 3.424567 3.394025 3.365116 3.337675 3.311559 3.286646 3.262831 3.24002 3.224491 3.208148 3.190899 3.17264 3.153244 3.13256 3.110405 3.086553 3.060724 3.032558 3.001591 2.967205 2.928547 2.884406 2.832963 2.771316 2.694389 2.59202 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.86003e-10 4.5343900000000003e-10 4.3325709999999997e-10 4.1859390000000005e-10 4.0707040000000005e-10 3.975764e-10 3.895028e-10 3.8247960000000003e-10 3.7626450000000004e-10 3.706906e-10 3.656379e-10 3.6101730000000003e-10 3.567606e-10 3.528146e-10 3.491371e-10 3.456938e-10 3.424567e-10 3.394025e-10 3.365116e-10 3.337675e-10 3.311559e-10 3.2866460000000005e-10 3.262831e-10 3.24002e-10 3.2244910000000003e-10 3.2081480000000003e-10 3.190899e-10 3.17264e-10 3.153244e-10 3.13256e-10 3.110405e-10 3.086553e-10 3.060724e-10 3.032558e-10 3.001591e-10 2.967205e-10 2.9285470000000003e-10 2.8844059999999997e-10 2.832963e-10 2.771316e-10 2.694389e-10 2.59202e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.533336 0.913739 1.25 1.54977 1.81862 2.06091 2.27967 2.4773 2.65576 2.81669 2.96148 3.09133 3.20727 3.31019 3.40088 3.48004 3.54826 3.60609 3.65401 3.69244 3.72178 3.74237 3.75452 3.75851 3.75656 3.75011 3.73806 3.71901 3.69116 3.6521 3.59865 3.52644 3.42943 3.299 3.12252 2.88087 2.54378 2.06094 1.34269 0.214661 -1.70774 -5.4496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.544984702309889e-20 1.4639712633131713e-19 2.002720776e-19 2.4830052616172163e-19 2.913750446119296e-19 3.3019418195729277e-19 3.652433977139136e-19 3.9690721427078405e-19 4.254996582455808e-19 4.512834866041152e-19 4.744814018966784e-19 4.952856653177665e-19 5.138613010593216e-19 5.303509028405952e-19 5.448810426146304e-19 5.575638727448832e-19 5.684939216519808e-19 5.777593090500672e-19 5.854369394169408e-19 5.915941041706752e-19 5.962948903761024e-19 5.995937720383296e-19 6.015404166326016e-19 6.021796851043008e-19 6.018672606632449e-19 6.008338567428288e-19 5.989032339147648e-19 5.958510874521408e-19 5.913890255632129e-19 5.85130923682368e-19 5.765672896441921e-19 5.649979722653953e-19 5.494552568670145e-19 5.2855806720192e-19 5.002828541980417e-19 4.615662561564096e-19 4.075584844458624e-19 3.301989884871552e-19 2.151226526981952e-19 3.439248355975488e-20 -2.7361011024049923e-19 -8.731221712711681e-19 ] } }