{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 9.62722 8.982161 8.58238 8.291917 8.063649 7.875581 7.715653 7.576529 7.453414 7.343002 7.242914 7.151384 7.067063 6.988898 6.91605 6.847842 6.783719 6.723219 6.665953 6.611594 6.559861 6.510511 6.463336 6.41815 6.387389 6.355014 6.320846 6.284676 6.246255 6.205282 6.161394 6.114146 6.06298 6.007187 5.945844 5.877727 5.80115 5.71371 5.611807 5.48969 5.337304 5.13452 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.62722e-10 8.982161e-10 8.582380000000001e-10 8.291917e-10 8.063649e-10 7.875581e-10 7.715653e-10 7.576529000000001e-10 7.453414000000001e-10 7.343002000000001e-10 7.242914e-10 7.151384000000001e-10 7.067063e-10 6.988898e-10 6.91605e-10 6.847842e-10 6.783719e-10 6.723219000000001e-10 6.665953e-10 6.611594e-10 6.559861e-10 6.510511000000001e-10 6.463336e-10 6.41815e-10 6.387389e-10 6.355014e-10 6.320846000000001e-10 6.284676000000001e-10 6.246255e-10 6.205282000000001e-10 6.161394e-10 6.114146e-10 6.062979999999999e-10 6.007187000000001e-10 5.945844e-10 5.877727000000001e-10 5.80115e-10 5.71371e-10 5.611807e-10 5.48969e-10 5.337304e-10 5.13452e-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" [ 0.0441172 0.248613 0.362171 0.471621 0.603919 0.959747 1.62557 2.30495 2.89627 3.37734 3.77485 4.10715 4.3756 4.58603 4.74641 4.86424 4.94859 5.00965 5.05451 5.08808 5.11359 5.13186 5.14283 5.14648 5.14467 5.13863 5.12728 5.10923 5.08309 5.04848 5.0055 4.95469 4.8972 4.8353 4.77301 4.71774 4.68179 4.6749 4.70372 4.75064 4.68858 4.12727 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.068354641515777e-21 3.9832193622695043e-20 5.802619089317568e-20 7.556201400783169e-20 9.675849026569153e-20 1.5376842052829376e-19 2.604450249473856e-19 3.6929370021129597e-19 4.640336081524417e-19 5.411095188492672e-19 6.04797641702688e-19 6.58037970811872e-19 7.010484021972481e-19 7.347630048287425e-19 7.604587134731329e-19 7.793371605960192e-19 7.928515203924672e-19 8.0263441083907205e-19 8.098217751599807e-19 8.152002820760064e-19 8.1928743463566725e-19 8.222146113218688e-19 8.239721990748864e-19 8.245569935414785e-19 8.242669995731136e-19 8.232992848941505e-19 8.214808144295425e-19 8.185888856289985e-19 8.144007959422273e-19 8.088556626576384e-19 8.0196950754144e-19 7.938288481311553e-19 7.84617934738176e-19 7.74700461455424e-19 7.647205032844609e-19 7.558652731012992e-19 7.501054481495233e-19 7.49001548457792e-19 7.536190214789376e-19 7.611364341837312e-19 7.511933260750464e-19 6.612615501729217e-19 ] } }