{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 8.89259 8.296753 7.927477 7.659178 7.448328 7.274611 7.126886 6.998378 6.884658 6.782671 6.69022 6.605674 6.527787 6.455586 6.388297 6.325295 6.266064 6.21018 6.157284 6.107073 6.059287 6.013704 5.970128 5.92839 5.899976 5.870071 5.838511 5.805101 5.769611 5.731765 5.691227 5.647584 5.600322 5.548786 5.492125 5.429205 5.358471 5.277703 5.183576 5.070778 4.93002 4.74271 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.892590000000001e-10 8.296753000000001e-10 7.927477e-10 7.659178e-10 7.448328000000001e-10 7.274611e-10 7.126886e-10 6.998378e-10 6.884658e-10 6.782671e-10 6.69022e-10 6.605674e-10 6.527787e-10 6.455586000000001e-10 6.388297e-10 6.325295e-10 6.266064000000001e-10 6.210180000000001e-10 6.157284e-10 6.107073e-10 6.059287000000001e-10 6.013704e-10 5.970128000000001e-10 5.928390000000001e-10 5.899976e-10 5.870071e-10 5.838510999999999e-10 5.805101e-10 5.769611000000001e-10 5.731765e-10 5.691227e-10 5.647584e-10 5.600322000000001e-10 5.548786e-10 5.492125e-10 5.429205e-10 5.358471e-10 5.277703e-10 5.183576e-10 5.070778e-10 4.93002e-10 4.74271e-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" [ 1.86514 2.36862 2.68286 2.90832 3.08371 3.2281 3.35227 3.46544 3.57064 3.66816 3.75844 3.84153 3.91746 3.9863 4.0481 4.10295 4.1509 4.19206 4.22649 4.25428 4.27552 4.29047 4.30022 4.30345 4.30195 4.29702 4.28783 4.27334 4.25219 4.22259 4.18217 4.12771 4.0548 3.95716 3.82573 3.64689 3.39938 3.04838 2.53299 1.73644 0.40242 -2.15055 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.988283702518912e-19 3.794947587559296e-19 4.298415568879488e-19 4.659642309805056e-19 4.940648067327169e-19 5.171986349604481e-19 5.370928620609217e-19 5.552246948785153e-19 5.720795929293312e-19 5.877040193353728e-19 6.021684698679552e-19 6.154809554101824e-19 6.276462824919169e-19 6.38675666349504e-19 6.48577117866048e-19 6.57365056631136e-19 6.65047493527872e-19 6.716420524990847e-19 6.771583466044993e-19 6.816107954337024e-19 6.850138185762816e-19 6.874090726243776e-19 6.889711948296577e-19 6.89488697878176e-19 6.89248371385056e-19 6.884584983110016e-19 6.869860979964864e-19 6.846645440729472e-19 6.812759405199552e-19 6.765334977223873e-19 6.700574998211137e-19 6.613320459442369e-19 6.496505762019841e-19 6.340069236764928e-19 6.129495163493184e-19 5.842961896629312e-19 5.446407161215104e-19 4.884043167314304e-19 4.058297358720192e-19 2.782083571421952e-19 6.447479157423361e-20 -3.4455609318614403e-19 ] } }