{ "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" [ 8.53432 7.96249 7.608092 7.350603 7.148248 6.981531 6.839758 6.716428 6.607289 6.509411 6.420685 6.339546 6.264797 6.195505 6.130927 6.070463 6.013619 5.959987 5.909222 5.861034 5.815174 5.771426 5.729606 5.68955 5.662281 5.633581 5.603292 5.571229 5.537168 5.500847 5.461942 5.420057 5.3747 5.32524 5.270861 5.210477 5.142593 5.065079 4.974744 4.86649 4.731404 4.55164 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.534319999999999e-10 7.96249e-10 7.608092e-10 7.350603e-10 7.148248e-10 6.981531000000001e-10 6.839758e-10 6.716428e-10 6.607289e-10 6.509411000000001e-10 6.420685e-10 6.339546000000001e-10 6.264797e-10 6.195505e-10 6.130927e-10 6.070463e-10 6.013619000000001e-10 5.959987e-10 5.909222e-10 5.861034e-10 5.815174e-10 5.771426e-10 5.729606e-10 5.68955e-10 5.662281e-10 5.633581e-10 5.603292e-10 5.571229e-10 5.537168e-10 5.500847000000001e-10 5.461941999999999e-10 5.420057e-10 5.3747e-10 5.32524e-10 5.270861e-10 5.210477000000001e-10 5.142593e-10 5.065079e-10 4.974744e-10 4.86649e-10 4.731404e-10 4.55164e-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" [ 0.745465 1.5084 1.75394 1.94626 2.10387 2.23657 2.35032 2.44903 2.53545 2.61159 2.67897 2.73878 2.79196 2.83929 2.88138 2.91877 2.95191 2.98118 3.0069 3.02937 3.04883 3.06551 3.07959 3.08786 3.08348 3.06949 3.04479 3.00846 2.95986 2.8987 2.82501 2.73902 2.64099 2.53088 2.40786 2.26972 2.11203 1.92718 1.7035 1.42475 0.863538 -0.407887 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.19436660446481e-19 2.4167232347255996e-19 2.81012168543796e-19 3.11825229568884e-19 3.3707713549735798e-19 3.5833801943053796e-19 3.7656277864228797e-19 3.92377864196502e-19 4.0622387466753e-19 4.18422847558806e-19 4.29218313718698e-19 4.38800932166652e-19 4.47321307506264e-19 4.54904409514986e-19 4.61647970967492e-19 4.676385094020179e-19 4.72948122767094e-19 4.77637693774812e-19 4.8175849207746e-19 4.85358582974058e-19 4.88476418703822e-19 4.91148849329334e-19 4.93404714030006e-19 4.94729714106324e-19 4.94027960740632e-19 4.91786515629666e-19 4.878291393436859e-19 4.820084316323639e-19 4.742218531911239e-19 4.6442294089758e-19 4.526165012816339e-19 4.38839384405868e-19 4.23133246862766e-19 4.0549167994579194e-19 3.8578170299432397e-19 3.6364923497224797e-19 3.3838451163070194e-19 3.0876827655121196e-19 2.729307896019e-19 2.2827011592914996e-19 1.383540406171092e-19 -6.535070207123579e-20 ] } }