{ "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" [ 1.8219311811194397e-19 2.24383235415066e-19 2.48877311795658e-19 2.6647882429678196e-19 2.8046903066487e-19 2.92216189745358e-19 3.02398022254428e-19 3.11389437524436e-19 3.19411535930874e-19 3.26608513370802e-19 3.3307329608899197e-19 3.38869971150804e-19 3.4404660385525797e-19 3.4863523773503403e-19 3.5266471196954393e-19 3.5615425267839595e-19 3.5912148380456397e-19 3.6160645976389797e-19 3.6363962191244396e-19 3.6525301378288194e-19 3.6647227020135595e-19 3.6731982164074197e-19 3.67814894220648e-19 3.67976714060682e-19 3.6789820740561597e-19 3.6764185914417593e-19 3.6716280833061e-19 3.66412989665898e-19 3.65321907378144e-19 3.6380304392911197e-19 3.6174104260115397e-19 3.5897889008413797e-19 3.5529869035584e-19 3.50400836385702e-19 3.4384633177600797e-19 3.34976681930184e-19 3.22772902509006e-19 3.0556071892994397e-19 2.80417761012582e-19 2.4178127148367197e-19 1.7768459306386797e-19 5.7182485155777e-20 ] } }