{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 6.78822 6.333384 6.051495 5.846688 5.685734 5.553126 5.440359 5.342262 5.255453 5.1776 5.107028 5.042489 4.983034 4.927919 4.876553 4.828459 4.783246 4.740586 4.700208 4.661879 4.625401 4.590605 4.557341 4.52548 4.50379 4.480962 4.45687 4.431366 4.404275 4.375384 4.344439 4.311124 4.275046 4.235706 4.192453 4.144423 4.090427 4.028772 3.956919 3.870814 3.763365 3.62038 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.788220000000001e-10 6.333384e-10 6.051495000000001e-10 5.846688e-10 5.685734e-10 5.553126e-10 5.440359000000001e-10 5.342262000000001e-10 5.255453000000001e-10 5.1776e-10 5.107028e-10 5.042489e-10 4.983034e-10 4.927919e-10 4.876553000000001e-10 4.828459e-10 4.783246000000001e-10 4.740586000000001e-10 4.700208e-10 4.661879e-10 4.625401e-10 4.590605e-10 4.557341e-10 4.52548e-10 4.5037900000000004e-10 4.480962e-10 4.4568700000000007e-10 4.431366e-10 4.4042750000000003e-10 4.375384000000001e-10 4.3444390000000006e-10 4.3111240000000007e-10 4.275046e-10 4.2357060000000005e-10 4.192453000000001e-10 4.144423e-10 4.090427e-10 4.028772e-10 3.9569190000000004e-10 3.8708140000000005e-10 3.763365e-10 3.62038e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.457159 0.642826 0.783366 0.896997 0.991967 1.07291 1.14276 1.20351 1.25662 1.30317 1.344 1.37979 1.41109 1.43833 1.46191 1.48213 1.49928 1.51359 1.52528 1.53452 1.54147 1.54628 1.54909 1.55 1.54956 1.54812 1.54546 1.54129 1.53526 1.52691 1.51564 1.50062 1.48078 1.45458 1.41983 1.37334 1.31019 1.2225 1.09683 0.908312 0.6054 0.0611413 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.324494617883073e-20 1.0299207884423808e-19 1.255090690729613e-19 1.4371476223277378e-19 1.5893063360051139e-19 1.7189913182225281e-19 1.830903355185408e-19 1.9282355848990082e-19 2.0133271852296962e-19 2.087908506927936e-19 2.1533253783552002e-19 2.210667279613632e-19 2.260815407844672e-19 2.3044586989952644e-19 2.3422380237137284e-19 2.374634034986304e-19 2.402111364033024e-19 2.4250385114766723e-19 2.443767956173824e-19 2.4585720681500165e-19 2.469707195664576e-19 2.4774136652106243e-19 2.4819157815150725e-19 2.4833737622400004e-19 2.482668804526848e-19 2.480361670192896e-19 2.4760998803815684e-19 2.469418803872832e-19 2.4597576788494084e-19 2.446379504065728e-19 2.428322973549312e-19 2.404258280704896e-19 2.3724710965482242e-19 2.330494069083264e-19 2.274818431510464e-19 2.200333240409472e-19 2.099155786805952e-19 1.958660918928e-19 1.757315382992064e-19 1.4552762507920896e-19 9.699577262323201e-20 9.795916142531905e-21 ] } }