{ "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" [ 7.88584 7.35746 7.029992 6.792068 6.605089 6.45104 6.320039 6.20608 6.105235 6.014794 5.93281 5.857836 5.788767 5.72474 5.665069 5.609199 5.556675 5.507117 5.46021 5.415684 5.373308 5.332885 5.294242 5.25723 5.232033 5.205514 5.177526 5.147899 5.116427 5.082865 5.046916 5.008214 4.966303 4.920601 4.870354 4.814557 4.751831 4.680207 4.596736 4.496707 4.371885 4.20578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.88584e-10 7.35746e-10 7.029992e-10 6.792068000000001e-10 6.605089000000001e-10 6.45104e-10 6.320039000000001e-10 6.206080000000001e-10 6.105235000000001e-10 6.014794e-10 5.932810000000001e-10 5.857836e-10 5.788767000000001e-10 5.72474e-10 5.665069e-10 5.609199e-10 5.556675e-10 5.507117e-10 5.460210000000001e-10 5.415684e-10 5.373308e-10 5.332885000000001e-10 5.294242e-10 5.25723e-10 5.232033e-10 5.205514000000001e-10 5.177526e-10 5.147899e-10 5.116427e-10 5.082865e-10 5.046916e-10 5.008214e-10 4.966303e-10 4.920601e-10 4.870354e-10 4.814557e-10 4.751831000000001e-10 4.680207e-10 4.596736e-10 4.496707e-10 4.371885e-10 4.20578e-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" [ 1.24488 1.53872 1.75093 1.91768 2.05423 2.16879 2.26637 2.35034 2.42305 2.48626 2.5413 2.58923 2.63087 2.66693 2.69797 2.72448 2.74685 2.76545 2.78057 2.79248 2.80141 2.80758 2.81116 2.81232 2.81176 2.80994 2.80657 2.80132 2.79374 2.78327 2.76916 2.75044 2.72577 2.69331 2.65044 2.5933 2.51607 2.40937 2.25694 2.02712 1.64843 0.918228 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.994517631701504e-19 2.4653012099573764e-19 2.8052991106573444e-19 3.072462062175744e-19 3.291239279745984e-19 3.4747846334248324e-19 3.6311250280824966e-19 3.7656597989310723e-19 3.88215406102944e-19 3.9834276452302085e-19 4.0716114464390404e-19 4.1484037718739846e-19 4.215118406364096e-19 4.272892895310144e-19 4.3226244576197768e-19 4.365098159837184e-19 4.400938850844479e-19 4.430739335991361e-19 4.454964246497856e-19 4.474046170051584e-19 4.488353607275329e-19 4.498239037025664e-19 4.503974829328129e-19 4.505833354208256e-19 4.504936135300608e-19 4.502020173850752e-19 4.496620838638656e-19 4.488209411379457e-19 4.476064912593792e-19 4.459290123374017e-19 4.436683411254528e-19 4.406690664913153e-19 4.367164967678016e-19 4.315158314566848e-19 4.246473002833152e-19 4.1549246307206404e-19 4.031188530296256e-19 3.8602362848568965e-19 3.6160165025483525e-19 3.247804271556096e-19 2.6410760070253445e-19 1.4711634341639425e-19 ] } }