{ "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" [ 8.2821 7.727169 7.383244 7.133365 6.93699 6.7752 6.637616 6.517931 6.412018 6.317032 6.230929 6.152187 6.079647 6.012403 5.949734 5.891056 5.835892 5.783844 5.73458 5.687816 5.643311 5.600857 5.560272 5.5214 5.494937 5.467085 5.437692 5.406575 5.373522 5.338274 5.300518 5.259872 5.215855 5.167857 5.115085 5.056485 4.990608 4.915385 4.82772 4.722665 4.591571 4.41712 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.2821e-10 7.727169e-10 7.383244e-10 7.133365000000001e-10 6.93699e-10 6.775200000000001e-10 6.637616000000001e-10 6.517931e-10 6.412018e-10 6.317032000000001e-10 6.230929e-10 6.152187e-10 6.079647e-10 6.012403e-10 5.949734e-10 5.891056e-10 5.835892e-10 5.783844000000001e-10 5.734580000000001e-10 5.687816e-10 5.643311e-10 5.600857000000001e-10 5.560272e-10 5.5214e-10 5.494937000000001e-10 5.467085e-10 5.437692e-10 5.406575e-10 5.373522000000001e-10 5.338274e-10 5.300518e-10 5.259872e-10 5.215855000000001e-10 5.167857e-10 5.115085e-10 5.056485e-10 4.990608e-10 4.915385e-10 4.82772e-10 4.722665e-10 4.591571e-10 4.41712e-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" [ 0.732431 1.04226 1.29036 1.52722 1.80636 2.14035 2.50258 2.86025 3.19152 3.48658 3.7434 3.96393 4.15164 4.31039 4.44377 4.555 4.64681 4.72154 4.78113 4.82724 4.86128 4.88442 4.89767 4.90192 4.89991 4.89336 4.88137 4.86281 4.83626 4.79988 4.7513 4.68738 4.60389 4.49499 4.35244 4.16423 3.91212 3.56712 3.0803 2.36201 1.22849 -0.767333 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.173483824549165e-19 1.669884604795008e-19 2.067384624415488e-19 2.4468761788181763e-19 2.894107760748288e-19 3.4292187303292803e-19 4.0095751676816642e-19 4.582625679643201e-19 5.113378728815616e-19 5.586116962548864e-19 5.99758796230272e-19 6.350915972487744e-19 6.651660545978113e-19 6.906006084530112e-19 7.119704402212416e-19 7.297914507744e-19 7.445010343299649e-19 7.564741002172033e-19 7.660214707005504e-19 7.734091070990592e-19 7.788629163162624e-19 7.825703530167937e-19 7.846932370393536e-19 7.853741621031936e-19 7.850521246024129e-19 7.840026989157889e-19 7.820816891474497e-19 7.7910804933924475e-19 7.748542704110209e-19 7.690255518645505e-19 7.61242177840704e-19 7.510010648805505e-19 7.376244922734912e-19 7.201767888729792e-19 6.973377611434751e-19 6.671831949633984e-19 6.267907201764096e-19 5.715156267588097e-19 4.93518464505024e-19 3.7843572000958085e-19 1.9682579568865923e-19 -1.2294029929683265e-19 ] } }