{ "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" [ 8.77314 8.185307 7.820992 7.556297 7.34828 7.176897 7.031156 6.904374 6.792182 6.691565 6.600356 6.516946 6.440105 6.368874 6.302489 6.240333 6.181898 6.126765 6.074579 6.025043 5.977899 5.932928 5.889937 5.84876 5.807132 5.764234 5.719986 5.674301 5.627082 5.578222 5.527603 5.475094 5.420548 5.363801 5.304667 5.242937 5.178373 5.110702 5.039608 4.964729 4.885638 4.801831 4.712713 4.617562 4.515504 4.405456 4.286059 4.155578 4.01174 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.77314e-10 8.185307e-10 7.820992000000001e-10 7.556297e-10 7.34828e-10 7.176897e-10 7.031156000000001e-10 6.904374e-10 6.792182000000001e-10 6.691565e-10 6.600356e-10 6.516946e-10 6.440105e-10 6.368874000000001e-10 6.302488999999999e-10 6.240333e-10 6.181898000000001e-10 6.126765e-10 6.074579e-10 6.025043000000001e-10 5.977899e-10 5.932928000000001e-10 5.889937e-10 5.84876e-10 5.807132e-10 5.764234e-10 5.719986e-10 5.674301e-10 5.627082e-10 5.578222e-10 5.527603000000001e-10 5.475094e-10 5.420548e-10 5.363801e-10 5.304667e-10 5.242937000000001e-10 5.178373e-10 5.110702e-10 5.039608e-10 4.964729e-10 4.885638e-10 4.801831e-10 4.712713e-10 4.6175620000000005e-10 4.5155040000000003e-10 4.4054560000000004e-10 4.286059e-10 4.1555780000000003e-10 4.0117399999999995e-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" [ 2.84326 3.51388 3.89689 4.1405 4.32594 4.48204 4.61894 4.73881 4.8412 4.92624 4.99513 5.04982 5.09255 5.12553 5.1508 5.17011 5.18493 5.19646 5.20563 5.213 5.21882 5.22312 5.22583 5.22678 5.22563 5.22163 5.21368 5.20035 5.17971 5.14933 5.10629 5.04723 4.96838 4.8645 4.72724 4.55368 4.33432 4.04143 3.62327 2.98352 1.94279 0.167407 -2.96756 -8.65217 -19.2186 -39.4102 -79.27 -161.206 -338.672 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.555404736386839e-19 5.62985643067992e-19 6.243506103268259e-19 6.633812353077e-19 6.93091998808596e-19 7.181019760653359e-19 7.40035774184796e-19 7.59241065496554e-19 7.756457520520799e-19 7.892706621476159e-19 8.003080569792419e-19 8.09070360990588e-19 8.159164617476699e-19 8.21200440286602e-19 8.2524914064072e-19 8.283429437209739e-19 8.307173694925618e-19 8.325646791515639e-19 8.34033875124942e-19 8.352146793042e-19 8.36147146105188e-19 8.368360820578079e-19 8.37270271925622e-19 8.374224787058519e-19 8.372382283929419e-19 8.365973577393419e-19 8.35323627315312e-19 8.3318792586219e-19 8.298810332896139e-19 8.250136206755219e-19 8.18117852442786e-19 8.08655397242382e-19 7.960222344832919e-19 7.793788236092999e-19 7.573873471310159e-19 7.29579969471312e-19 6.9443462282788795e-19 6.475084713946619e-19 5.80511853267318e-19 4.780126031071679e-19 3.11269274276886e-19 2.68215583768038e-20 -4.75455529199304e-19 -1.3862304607395779e-18 -3.0791591858192397e-18 -6.3142101581266804e-18 -1.2700454177717998e-17 -2.5828048646060398e-17 -5.42612364990048e-17 ] } }