{ "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" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.604569 5.576162 5.546182 5.514445 5.480732 5.44478 5.406272 5.364815 5.319919 5.270964 5.21714 5.157371 5.090179 5.013455 4.924041 4.816891 4.683181 4.50525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.604569e-10 5.576162e-10 5.546182e-10 5.514445e-10 5.480732e-10 5.444779999999999e-10 5.406272000000001e-10 5.364815000000001e-10 5.319919e-10 5.270964000000001e-10 5.21714e-10 5.157371e-10 5.090179e-10 5.013455e-10 4.924041e-10 4.816891e-10 4.683181e-10 4.5052500000000005e-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" [ 0.800232 0.898071 1.01494 1.14573 1.28271 1.42028 1.55369 1.6789 1.79276 1.89358 1.98157 2.05792 2.12412 2.18153 2.23125 2.27401 2.3103 2.34049 2.3649 2.38391 2.39795 2.40747 2.41288 2.4146 2.41379 2.4112 2.40653 2.3994 2.38938 2.37595 2.35844 2.33597 2.30745 2.2715 2.22641 2.16994 2.09908 2.00919 1.89254 1.73487 1.50692 1.1309 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2821130016160257e-19 1.4388683600184768e-19 1.626113139514752e-19 1.835661819749184e-19 2.055127973266368e-19 2.275539410989824e-19 2.489285793970752e-19 2.6898943286611205e-19 2.872318158705408e-19 3.033849605614464e-19 3.174825126478656e-19 3.2971513114767363e-19 3.403215403773696e-19 3.495196363573824e-19 3.5748565851600006e-19 3.6433656574654085e-19 3.70150864703424e-19 3.749878359216192e-19 3.7889874905299203e-19 3.8194448680913287e-19 3.84193942784736e-19 3.857192149277376e-19 3.865859924795904e-19 3.8686156685836803e-19 3.8673179055208324e-19 3.8631682680729603e-19 3.855686103253824e-19 3.84426258394752e-19 3.828208774207104e-19 3.80669154218976e-19 3.778637429559552e-19 3.7426365208901765e-19 3.69694244366496e-19 3.6393441941472004e-19 3.5671020503153284e-19 3.476627136538752e-19 3.363096901188864e-19 3.219077244745152e-19 3.032183341928832e-19 2.779568154127296e-19 2.4143519934159363e-19 1.81190154046272e-19 ] } }