{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.28205 7.727123 7.383201 7.133323 6.93695 6.775161 6.637578 6.517894 6.411981 6.316996 6.230893 6.152152 6.079613 6.012369 5.949701 5.891023 5.83586 5.783813 5.734549 5.687785 5.64328 5.600826 5.560242 5.52137 5.482072 5.441576 5.399805 5.356677 5.312101 5.265976 5.21819 5.168621 5.117128 5.063558 5.007734 4.94946 4.88851 4.824626 4.757513 4.686825 4.612161 4.533046 4.448916 4.359092 4.262747 4.158859 4.046146 3.922968 3.787182 3.635909 3.465155 3.269153 3.039116 2.76069 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28205e-10 7.727123e-10 7.383201e-10 7.133323e-10 6.936950000000001e-10 6.775161000000001e-10 6.637578000000001e-10 6.517894e-10 6.411981e-10 6.316996e-10 6.230893000000001e-10 6.152152e-10 6.079613e-10 6.012369e-10 5.949701e-10 5.891023e-10 5.83586e-10 5.783813e-10 5.734549e-10 5.687785e-10 5.64328e-10 5.600826e-10 5.560242e-10 5.52137e-10 5.482071999999999e-10 5.441576000000001e-10 5.399805e-10 5.356677000000001e-10 5.312101e-10 5.265976000000001e-10 5.218190000000001e-10 5.168621000000001e-10 5.117128e-10 5.063558e-10 5.007734000000001e-10 4.94946e-10 4.88851e-10 4.824626e-10 4.757513e-10 4.686824999999999e-10 4.6121610000000003e-10 4.533046e-10 4.448916e-10 4.3590920000000005e-10 4.262747e-10 4.158859e-10 4.0461460000000003e-10 3.922968e-10 3.787182e-10 3.635909e-10 3.465155e-10 3.2691530000000005e-10 3.039116e-10 2.76069e-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" [ 0.732455 1.04229 1.29039 1.52722 1.80629 2.1402 2.50239 2.86004 3.19132 3.4864 3.74325 3.96379 4.15154 4.31031 4.44371 4.55496 4.64678 4.72152 4.78112 4.82724 4.86128 4.88443 4.89769 4.90193 4.89748 4.88329 4.85797 4.81993 4.76729 4.69777 4.6087 4.49687 4.35843 4.18869 3.98198 3.73129 3.42801 3.06133 2.61771 2.07987 1.42562 0.626046 -0.357064 -1.57498 -3.09778 -5.02323 -7.49098 -10.7061 -14.98 -20.804 -28.9924 -40.9785 -59.4919 -90.3096 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1735222864564698e-19 1.6699326838518598e-19 2.0674327067472598e-19 2.4468761989774797e-19 2.8939956322278595e-19 3.4289784320868e-19 4.00927078715526e-19 4.58228926030536e-19 5.11305833561688e-19 5.5858286167776e-19 5.9973476852205e-19 6.350691720082859e-19 6.651500383116359e-19 6.90587796729654e-19 7.11960833027214e-19 7.29785048080464e-19 7.444962339338519e-19 7.56470902096368e-19 7.660198748350079e-19 7.734091134710159e-19 7.788629227331519e-19 7.825719616408619e-19 7.8469644785754595e-19 7.85375770750362e-19 7.846628021482319e-19 7.8238931350458585e-19 7.783326022672979e-19 7.72237922351562e-19 7.638040645501859e-19 7.52665732590618e-19 7.383951453115799e-19 7.20478004013558e-19 6.98297470692462e-19 6.71102124506946e-19 6.37983531305532e-19 5.97818565267786e-19 5.49227752311834e-19 4.90479139496322e-19 4.19403379658814e-19 3.33231911575758e-19 2.28409505296308e-19 1.003036273009164e-19 -5.720795976425759e-20 -2.52339615501732e-19 -4.96319073327252e-19 -8.048101733207819e-19 -1.200187312176132e-18 -1.7153063261267397e-18 -2.400060597732e-18 -3.3331682693735993e-18 -4.6450945843581594e-18 -6.565479519636899e-18 -9.531653209226459e-18 -1.446919309458864e-17 ] } }