{ "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" [ 9.29807 8.675064 8.28895 8.008418 7.787953 7.606315 7.451855 7.317487 7.198581 7.091944 6.995278 6.906877 6.825438 6.749945 6.679588 6.613712 6.551781 6.493349 6.438041 6.385541 6.335576 6.287914 6.242351 6.19871 6.169 6.137732 6.104733 6.0698 6.032692 5.99312 5.950733 5.905101 5.855684 5.801798 5.742554 5.676765 5.602806 5.518356 5.419937 5.301996 5.15482 4.95897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.29807e-10 8.675064000000001e-10 8.288950000000001e-10 8.008418000000001e-10 7.787953e-10 7.606315000000001e-10 7.451855e-10 7.317487e-10 7.198581e-10 7.091944e-10 6.995278e-10 6.906877e-10 6.825438000000001e-10 6.749945000000001e-10 6.679588e-10 6.613712e-10 6.551781e-10 6.493349000000001e-10 6.438041000000001e-10 6.385541e-10 6.335576e-10 6.287914e-10 6.242351e-10 6.198710000000001e-10 6.169e-10 6.137732e-10 6.104733000000001e-10 6.0698e-10 6.032692e-10 5.993120000000001e-10 5.950733e-10 5.905101e-10 5.855684e-10 5.801798e-10 5.742554e-10 5.676765e-10 5.602806e-10 5.518356e-10 5.419937e-10 5.301996e-10 5.15482e-10 4.95897e-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" [ 1.13716 1.40049 1.55337 1.66323 1.75055 1.82387 1.88742 1.94354 1.99361 2.03853 2.07888 2.11506 2.14737 2.17601 2.20116 2.22294 2.24146 2.25697 2.26966 2.27973 2.28734 2.29263 2.29572 2.29673 2.29624 2.29464 2.29165 2.28697 2.28016 2.27068 2.25781 2.24057 2.2176 2.18703 2.14612 2.09076 2.01459 1.90716 1.75023 1.50908 1.10902 0.356905 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.821931166108928e-19 2.243832335664192e-19 2.488773097452096e-19 2.664788221013184e-19 2.80469028354144e-19 2.922161873378496e-19 3.0239801976303363e-19 3.113894349589632e-19 3.1941153329930883e-19 3.2660851067994242e-19 3.330732933448704e-19 3.3886996835892486e-19 3.4404660102072964e-19 3.4863523486270086e-19 3.526647090640128e-19 3.561542497441152e-19 3.591214808458368e-19 3.616064567846976e-19 3.636396189164928e-19 3.652530107736384e-19 3.664722671820672e-19 3.6731981861447043e-19 3.6781489119029766e-19 3.6797671102899846e-19 3.6789820437457924e-19 3.6764185611525117e-19 3.6716280530563203e-19 3.6641298664709763e-19 3.6532190436833283e-19 3.638030409318144e-19 3.6174103962084483e-19 3.589788871265856e-19 3.55298687428608e-19 3.504008334988224e-19 3.438463289431296e-19 3.349766791703808e-19 3.227728998497472e-19 3.055607164124928e-19 2.804177587022784e-19 2.4178126949168643e-19 1.776845915999616e-19 5.718248468466239e-20 ] } }