{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.53432 7.96249 7.608092 7.350603 7.148248 6.981531 6.839758 6.716428 6.607289 6.509411 6.420685 6.339546 6.264797 6.195505 6.130927 6.070463 6.013619 5.959987 5.909222 5.861034 5.815174 5.771426 5.729606 5.68955 5.649055 5.607325 5.564282 5.51984 5.473906 5.426376 5.377135 5.326055 5.272994 5.217791 5.160267 5.100217 5.037411 4.971581 4.902423 4.829582 4.752643 4.671118 4.584425 4.491865 4.392585 4.285532 4.169385 4.042455 3.902532 3.746651 3.570696 3.368723 3.131678 2.84477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.534319999999999e-10 7.96249e-10 7.608092e-10 7.350603e-10 7.148248e-10 6.981531000000001e-10 6.839758e-10 6.716428e-10 6.607289e-10 6.509411000000001e-10 6.420685e-10 6.339546000000001e-10 6.264797e-10 6.195505e-10 6.130927e-10 6.070463e-10 6.013619000000001e-10 5.959987e-10 5.909222e-10 5.861034e-10 5.815174e-10 5.771426e-10 5.729606e-10 5.68955e-10 5.649055e-10 5.607325000000001e-10 5.564282000000001e-10 5.51984e-10 5.473906000000001e-10 5.426376000000001e-10 5.377135e-10 5.326055e-10 5.272993999999999e-10 5.217791000000001e-10 5.160267e-10 5.100217e-10 5.037411e-10 4.971581e-10 4.902423e-10 4.829582e-10 4.752643e-10 4.671118e-10 4.5844250000000004e-10 4.491865e-10 4.392585000000001e-10 4.285532e-10 4.1693850000000005e-10 4.0424550000000004e-10 3.902532e-10 3.746651e-10 3.570696e-10 3.368723e-10 3.131678e-10 2.84477e-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" [ 0.745465 1.5084 1.75394 1.94626 2.10387 2.23657 2.35032 2.44903 2.53545 2.61159 2.67897 2.73878 2.79196 2.83929 2.88138 2.91877 2.95191 2.98118 3.0069 3.02937 3.04883 3.06551 3.07959 3.08786 3.07821 3.04864 2.99932 2.93175 2.84842 2.75233 2.64634 2.53271 2.41271 2.28655 2.1534 2.01172 1.85965 1.69551 1.51849 1.30931 0.976831 0.495082 -0.140461 -0.927067 -1.86486 -2.96208 -4.23061 -5.78163 -8.00916 -11.3573 -16.4901 -24.6535 -38.4142 -66.402 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.19436660446481e-19 2.4167232347255996e-19 2.81012168543796e-19 3.11825229568884e-19 3.3707713549735798e-19 3.5833801943053796e-19 3.7656277864228797e-19 3.92377864196502e-19 4.0622387466753e-19 4.18422847558806e-19 4.29218313718698e-19 4.38800932166652e-19 4.47321307506264e-19 4.54904409514986e-19 4.61647970967492e-19 4.676385094020179e-19 4.72948122767094e-19 4.77637693774812e-19 4.8175849207746e-19 4.85358582974058e-19 4.88476418703822e-19 4.91148849329334e-19 4.93404714030006e-19 4.94729714106324e-19 4.93183613654514e-19 4.884459773477759e-19 4.805440421888879e-19 4.6971813467295e-19 4.56367196781828e-19 4.40971881505722e-19 4.2399041136195597e-19 4.057848782698139e-19 3.86558758661814e-19 3.6634569824726997e-19 3.4501271636555996e-19 3.2231307781504797e-19 2.9794877774180997e-19 2.71650650471334e-19 2.4328891969626597e-19 2.09774588866254e-19 1.565055803566854e-19 7.932088123139879e-20 -2.25043332188274e-20 -1.485325085552478e-19 -2.9878351176812396e-19 -4.745775364038719e-19 -6.77818448956674e-19 -9.263192492433419e-19 -1.2832089009967439e-18 -1.81964006853282e-18 -2.64200529123234e-18 -3.9499261646319e-18 -6.15463336538028e-18 -1.06387732850868e-17 ] } }