{ "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" [ 8.04201 7.503166 7.169211 6.926576 6.735894 6.578793 6.445198 6.328982 6.22614 6.133908 6.0503 5.973841 5.903404 5.838109 5.777257 5.72028 5.666715 5.616176 5.56834 5.522932 5.479717 5.438493 5.399085 5.36134 5.323181 5.283858 5.243298 5.20142 5.158136 5.113348 5.066947 5.018814 4.968814 4.916796 4.86259 4.806005 4.746821 4.684789 4.619621 4.550982 4.478482 4.40166 4.319968 4.232747 4.139194 4.038317 3.928871 3.809263 3.677412 3.530523 3.364719 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.04201e-10 7.503166e-10 7.169211e-10 6.926576e-10 6.735894000000001e-10 6.578793e-10 6.445198000000001e-10 6.328982e-10 6.22614e-10 6.133908e-10 6.0503e-10 5.973841e-10 5.903404000000001e-10 5.838109000000001e-10 5.777257e-10 5.72028e-10 5.666715e-10 5.616176e-10 5.568340000000001e-10 5.522932e-10 5.479717e-10 5.438493e-10 5.399085000000001e-10 5.36134e-10 5.323181e-10 5.283858000000001e-10 5.243298e-10 5.201419999999999e-10 5.158136e-10 5.113348e-10 5.066947e-10 5.018814e-10 4.968814e-10 4.916796e-10 4.86259e-10 4.806005e-10 4.746821e-10 4.684789000000001e-10 4.619621000000001e-10 4.5509820000000006e-10 4.478482e-10 4.40166e-10 4.319968e-10 4.232747e-10 4.139194e-10 4.038317e-10 3.9288710000000003e-10 3.809263e-10 3.677412e-10 3.530523e-10 3.364719e-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" [ 0.754599 1.05808 1.27915 1.45674 1.60697 1.73399 1.84306 1.93763 2.02011 2.0923 2.15555 2.21094 2.26206 2.30706 2.34635 2.38045 2.40975 2.43463 2.45538 2.47229 2.48559 2.4955 2.50119 2.50254 2.50094 2.49581 2.48651 2.47232 2.45231 2.42542 2.39035 2.34552 2.28901 2.21895 2.13231 2.02522 1.89317 1.73047 1.52986 1.28094 0.973473 0.590988 0.112173 -0.491222 -1.25743 -2.24146 -3.50997 -5.16132 -7.36526 -10.4962 -15.0975 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2090008858397659e-19 1.6952310529027198e-19 2.0494242413811e-19 2.3339547898131596e-19 2.57464978553898e-19 2.7781582615896596e-19 2.9529076670600395e-19 3.1044255113374197e-19 3.2365730401097396e-19 3.3522341713181993e-19 3.4535718434186996e-19 3.5423164071759596e-19 3.6242196767060395e-19 3.6963176252360396e-19 3.7592671451859e-19 3.8139013684053e-19 3.8608451437814995e-19 3.9007072984354194e-19 3.9339524635909196e-19 3.96104527047186e-19 3.98235421970406e-19 3.9982317901469994e-19 4.0073481751944593e-19 4.00951111365036e-19 4.0069476310359596e-19 3.99872846490354e-19 3.98382822220734e-19 3.9610933357708797e-19 3.92903378132454e-19 3.8859512516362794e-19 3.8297629170819e-19 3.75793733857968e-19 3.66739833699234e-19 3.5551498420143e-19 3.41633725844454e-19 3.2447601627094797e-19 3.0331927381897797e-19 2.7725185998379795e-19 2.4511059452912396e-19 2.0522921375559598e-19 1.5596756944298818e-19 9.468671645743918e-20 1.7972095956568198e-20 -7.870244105067479e-20 -2.01462496489062e-19 -3.5912148380456397e-19 -5.62359192004098e-19 -8.269346304596879e-19 -1.1800447475334839e-18 -1.6816766385790798e-18 -2.4188861731814997e-18 ] } }