{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.84622 5.454502 5.21173 5.035344 4.896726 4.78252 4.685402 4.600917 4.526155 4.459106 4.398326 4.342744 4.291539 4.244072 4.199835 4.158415 4.119476 4.082736 4.047961 4.014951 3.983535 3.953567 3.924919 3.89748 3.8788 3.85914 3.838391 3.816427 3.793094 3.768213 3.741562 3.71287 3.681799 3.647917 3.610667 3.569302 3.522799 3.4697 3.407818 3.333661 3.241123 3.11798 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.84622e-10 5.454502e-10 5.21173e-10 5.035344000000001e-10 4.896726e-10 4.78252e-10 4.685402e-10 4.600917e-10 4.5261550000000005e-10 4.4591060000000005e-10 4.398326e-10 4.342744e-10 4.291539e-10 4.244072e-10 4.199835e-10 4.158415e-10 4.1194759999999997e-10 4.082736e-10 4.047961e-10 4.014951e-10 3.983535e-10 3.953567e-10 3.9249190000000004e-10 3.89748e-10 3.8788e-10 3.85914e-10 3.838391e-10 3.816427e-10 3.793094e-10 3.768213e-10 3.741562e-10 3.7128700000000004e-10 3.681799e-10 3.647917e-10 3.610667e-10 3.569302e-10 3.522799e-10 3.4697e-10 3.407818e-10 3.3336610000000006e-10 3.241123e-10 3.1179800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.224724 0.794232 1.49923 2.18769 2.77524 3.22825 3.54495 3.74103 3.84013 3.86772 3.85716 3.8274 3.78217 3.72639 3.66039 3.57988 3.48128 3.35982 3.20903 3.01993 2.77973 2.46956 2.06053 1.50616 0.726857 -0.425525 -2.26077 -5.55182 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.60047541899016e-20 1.272499952375088e-19 2.40203127499182e-19 3.5050658004354595e-19 4.44642468174216e-19 5.172226718710499e-19 5.679636058698299e-19 5.99379085309302e-19 6.152566557522419e-19 6.19677061085448e-19 6.179851625599439e-19 6.1321708489716e-19 6.0597043998157795e-19 5.970334987171259e-19 5.86459132932726e-19 5.73560008852392e-19 5.577625472411519e-19 5.383025098445879e-19 5.141432883805019e-19 4.83846128231562e-19 4.453618454828819e-19 3.9566713282610397e-19 3.3013330196560197e-19 2.4131343590654397e-19 1.1645533016593378e-19 -6.8176621218285e-20 -3.62215286884818e-19 -8.89499628017388e-19 ] } }