{ "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" [ 8.83143 8.239692 7.872956 7.606503 7.397103 7.224581 7.077872 6.950248 6.83731 6.736024 6.64421 6.560245 6.482894 6.41119 6.344364 6.281794 6.222971 6.167472 6.11494 6.065074 6.017617 5.972347 5.929071 5.88762 5.845715 5.802532 5.757991 5.712002 5.664469 5.615284 5.564329 5.511471 5.456563 5.399439 5.339912 5.277772 5.212779 5.144658 5.073092 4.997715 4.918098 4.833735 4.744025 4.648242 4.545506 4.434726 4.314536 4.183188 4.038394 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.831429999999999e-10 8.239692000000001e-10 7.872956000000001e-10 7.606503e-10 7.397103000000001e-10 7.224581e-10 7.077872e-10 6.950248e-10 6.837310000000001e-10 6.736024e-10 6.644210000000001e-10 6.560245000000001e-10 6.482894000000001e-10 6.41119e-10 6.344364e-10 6.281794e-10 6.222971e-10 6.167472e-10 6.11494e-10 6.065074e-10 6.017617e-10 5.972347000000001e-10 5.929071000000001e-10 5.887620000000001e-10 5.845715e-10 5.802532e-10 5.757990999999999e-10 5.712002e-10 5.664469000000001e-10 5.615284e-10 5.564329e-10 5.511471e-10 5.456563e-10 5.399439e-10 5.339912e-10 5.277771999999999e-10 5.212779e-10 5.144658e-10 5.073092e-10 4.997715000000001e-10 4.918098e-10 4.833735e-10 4.744025e-10 4.648242e-10 4.545506e-10 4.4347260000000007e-10 4.3145360000000006e-10 4.1831880000000004e-10 4.0383940000000004e-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" [ 1.13299 1.34427 1.44055 1.53115 1.65279 1.76684 1.86725 1.95768 2.03937 2.11007 2.16928 2.22008 2.26606 2.309 2.34829 2.38296 2.41166 2.4336 2.44918 2.45944 2.4657 2.46938 2.47144 2.47214 2.47124 2.46756 2.45847 2.44174 2.41602 2.38106 2.3375 2.2846 2.21926 2.13819 2.0369 1.91089 1.75544 1.56495 1.33256 1.05494 0.729156 0.345422 -0.116441 -0.672159 -1.28283 -1.91699 -2.56188 -3.26438 -4.04459 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8152501045556598e-19 2.15375798378718e-19 2.3080155501087e-19 2.4531727531491e-19 2.64806151890886e-19 2.83078976401656e-19 2.9916643198365e-19 3.13654915284912e-19 3.2674309620805795e-19 3.3807048501043795e-19 3.47556972860352e-19 3.5569603016107196e-19 3.6306283832420396e-19 3.699425847906e-19 3.76237536785586e-19 3.81792283175664e-19 3.8639053011524397e-19 3.8990570565024003e-19 3.92401896846012e-19 3.9404573007249593e-19 3.9504869264537995e-19 3.95638293646692e-19 3.9596834203329596e-19 3.9608049439767595e-19 3.9593629850061595e-19 3.95346697499304e-19 3.93890318938998e-19 3.9120987743031596e-19 3.87089079127668e-19 3.81487869615204e-19 3.7450878819749997e-19 3.6603327380364e-19 3.5556465167708396e-19 3.4257580570524594e-19 3.2634735857946e-19 3.0615833081442597e-19 2.8125249503889597e-19 2.5073263233782997e-19 2.1349964954030398e-19 1.69020021827196e-19 1.168236705740904e-19 5.53427057269548e-20 -1.86559049439594e-20 -1.0769174441328059e-19 -2.0553202513942196e-19 -3.0713565856116597e-19 -4.1045842751119195e-19 -5.230113360496919e-19 -6.480147592110061e-19 ] } }