{ "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" [ 8.29599 7.740128 7.395627 7.145329 6.948624 6.786562 6.648748 6.528862 6.422771 6.327627 6.241379 6.162505 6.089843 6.022486 5.959712 5.900936 5.845679 5.793545 5.744198 5.697355 5.652775 5.61025 5.569597 5.53066 5.504152 5.476254 5.446811 5.415643 5.382534 5.347227 5.309408 5.268694 5.224603 5.176525 5.123665 5.064967 4.998979 4.923629 4.835818 4.730587 4.599273 4.42453 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.29599e-10 7.740128000000001e-10 7.395627e-10 7.145329e-10 6.948624e-10 6.786562e-10 6.648748000000001e-10 6.528862e-10 6.422771e-10 6.327627e-10 6.241379e-10 6.162505000000001e-10 6.089843e-10 6.022486e-10 5.959712e-10 5.900936e-10 5.845679e-10 5.793545000000001e-10 5.744198e-10 5.697355000000001e-10 5.652775000000001e-10 5.61025e-10 5.569597e-10 5.53066e-10 5.504152000000001e-10 5.476254e-10 5.446811000000001e-10 5.415643000000001e-10 5.382534e-10 5.347227e-10 5.309408000000001e-10 5.268694e-10 5.224603000000001e-10 5.176525e-10 5.123665e-10 5.064967e-10 4.998979000000001e-10 4.923629e-10 4.835818e-10 4.730587e-10 4.5992730000000005e-10 4.42453e-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" [ 0.796917 1.10822 1.34092 1.52707 1.68136 1.81592 1.93865 2.04032 2.12719 2.20281 2.26884 2.32645 2.37656 2.41994 2.45732 2.4893 2.51679 2.54093 2.5623 2.57986 2.59274 2.60127 2.60608 2.60761 2.60688 2.60451 2.60015 2.59334 2.58353 2.56998 2.55171 2.52744 2.49542 2.45319 2.3973 2.32264 2.2214 2.08115 1.88117 1.58513 1.10841 0.254816 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2768017861180738e-19 1.775564174702976e-19 2.1483906743631358e-19 2.4466358523250562e-19 2.693835683148288e-19 2.909424569243136e-19 3.10605970591392e-19 3.268953002950656e-19 3.4081340859995525e-19 3.529290682064448e-19 3.635082404335872e-19 3.7273837994601602e-19 3.8076688699284484e-19 3.877171291738752e-19 3.9370606538242567e-19 3.9882982621574404e-19 4.032342097463232e-19 4.071018641089344e-19 4.10525715547584e-19 4.1333913769370885e-19 4.154027411812992e-19 4.167693978388416e-19 4.175400447934464e-19 4.1778517781642887e-19 4.176682189231104e-19 4.172885030639808e-19 4.1658995405731204e-19 4.1549887177854724e-19 4.1392713651354246e-19 4.1175618719235846e-19 4.088290105061568e-19 4.0494052784747523e-19 3.9981035830767366e-19 3.9304436643803524e-19 3.84089801304384e-19 3.721279506534912e-19 3.55907514544512e-19 3.33436987437792e-19 3.013966593750336e-19 2.539658226928704e-19 1.7758685882609279e-19 4.0826023780577283e-20 ] } }