{ "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" [ 7.324494678228059e-20 1.0299207969276839e-19 1.255090701070044e-19 1.437147634168098e-19 1.589306349099078e-19 1.71899133238494e-19 1.8309033702698398e-19 1.92823560078534e-19 2.0133272018170799e-19 2.0879085241297798e-19 2.153325396096e-19 2.2106672978268597e-19 2.2608154264710597e-19 2.30445871798122e-19 2.34223804301094e-19 2.3746340545504198e-19 2.40211138382352e-19 2.4250385314560596e-19 2.4437679763075197e-19 2.45857208840568e-19 2.46970721601198e-19 2.47741368562152e-19 2.4819158019630597e-19 2.4833737826999997e-19 2.48266882498104e-19 2.4803616906280798e-19 2.47609990078164e-19 2.46941882421786e-19 2.45975769911484e-19 2.44637952422094e-19 2.42832299355576e-19 2.4042583005130797e-19 2.37247111609452e-19 2.3304940882837197e-19 2.2748184502522196e-19 2.20033325853756e-19 2.0991558041004598e-19 1.9586609350649998e-19 1.75731539747022e-19 1.4552762627818078e-19 9.699577342236e-20 9.79591622323842e-21 ] } }