{ "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" [ 7.31806 6.827724 6.523833 6.30304 6.129523 5.986565 5.864997 5.759243 5.665658 5.581729 5.505648 5.436072 5.371976 5.312559 5.257185 5.205337 5.156595 5.110606 5.067076 5.025755 4.98643 4.948918 4.913057 4.87871 4.855327 4.830718 4.804745 4.777251 4.748045 4.7169 4.683539 4.647624 4.608731 4.56632 4.519691 4.467912 4.409703 4.343236 4.265775 4.172949 4.057115 3.90297 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.31806e-10 6.827724000000001e-10 6.523833e-10 6.30304e-10 6.129523e-10 5.986565e-10 5.864997e-10 5.759242999999999e-10 5.665657999999999e-10 5.581729e-10 5.505648e-10 5.436072000000001e-10 5.371976e-10 5.312559e-10 5.257185e-10 5.205337e-10 5.156595e-10 5.110606e-10 5.067076000000001e-10 5.025755e-10 4.986430000000001e-10 4.948918e-10 4.913057e-10 4.87871e-10 4.855327e-10 4.830718e-10 4.804745e-10 4.777251e-10 4.748045e-10 4.716900000000001e-10 4.683538999999999e-10 4.6476240000000005e-10 4.608731e-10 4.56632e-10 4.519691e-10 4.4679120000000004e-10 4.4097030000000007e-10 4.343236e-10 4.2657749999999997e-10 4.172949e-10 4.0571149999999995e-10 3.90297e-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" [ 0.696604 1.20778 1.61645 1.94698 2.18316 2.37296 2.52969 2.66152 2.77377 2.87009 2.97244 3.05395 3.11638 3.17022 3.21642 3.25578 3.28894 3.31646 3.33882 3.35642 3.36962 3.37872 3.38401 3.38572 3.3849 3.3822 3.37723 3.36946 3.35826 3.34277 3.3219 3.29418 3.25762 3.20946 3.14576 3.06074 2.94557 2.7861 2.55827 2.21761 1.67215 0.695872 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1160826427557632e-19 1.9350768790698243e-19 2.58983839869216e-19 3.119405837165184e-19 3.4978079114657283e-19 3.8019010340935683e-19 4.0530101758715523e-19 4.264225119791616e-19 4.444069445476416e-19 4.598391097591872e-19 4.762373874730752e-19 4.89296729109216e-19 4.992991177528704e-19 5.079252366792576e-19 5.153272926673536e-19 5.216334598468225e-19 5.269462775213952e-19 5.313554675818369e-19 5.349379345059457e-19 5.377577653585536e-19 5.398726384980096e-19 5.413306192229376e-19 5.421781706553409e-19 5.424521428574976e-19 5.42320764374592e-19 5.418881766869761e-19 5.410918949064385e-19 5.398470036720768e-19 5.380525658567808e-19 5.355707942711616e-19 5.32227051663552e-19 5.277858180706944e-19 5.219282603450497e-19 5.142121777392768e-19 5.040063126647808e-19 4.903846070347392e-19 4.719323388929856e-19 4.46382428321088e-19 4.098800383694016e-19 3.5530028960522885e-19 2.67907963647072e-19 1.1149098494693378e-19 ] } }