{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.16359 8.549596 8.169066 7.892592 7.675316 7.496305 7.344079 7.211655 7.094469 6.989374 6.894106 6.806984 6.726723 6.652322 6.582983 6.51806 6.457024 6.399437 6.344929 6.293188 6.243946 6.196973 6.15207 6.10906 6.065579 6.020772 5.974555 5.926837 5.877516 5.826481 5.77361 5.718764 5.66179 5.602517 5.540752 5.476275 5.408837 5.338154 5.263897 5.185685 5.103074 5.015538 4.922453 4.823068 4.716467 4.601521 4.476811 4.340522 4.190283 4.022908 3.83398 3.617114 3.362592 3.05453 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.163589999999999e-10 8.549596e-10 8.169066000000001e-10 7.892592e-10 7.675316e-10 7.496305000000001e-10 7.344079e-10 7.211655e-10 7.094469e-10 6.989374e-10 6.894106e-10 6.806984e-10 6.726723e-10 6.652322e-10 6.582983e-10 6.51806e-10 6.457024e-10 6.399437e-10 6.344928999999999e-10 6.293188e-10 6.243946000000001e-10 6.196973e-10 6.152070000000001e-10 6.109060000000001e-10 6.065579e-10 6.020772e-10 5.974554999999999e-10 5.926837e-10 5.877516000000001e-10 5.826481000000001e-10 5.77361e-10 5.718764000000001e-10 5.66179e-10 5.602517e-10 5.540752e-10 5.476275e-10 5.408837e-10 5.338154e-10 5.263897e-10 5.185685e-10 5.103074000000001e-10 5.015538000000001e-10 4.922453e-10 4.823068000000001e-10 4.716467e-10 4.601521e-10 4.476811e-10 4.340522e-10 4.1902830000000003e-10 4.022908e-10 3.83398e-10 3.617114e-10 3.362592e-10 3.0545300000000004e-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" [ 1.34725 1.63529 1.82398 1.96188 2.07446 2.18228 2.26083 2.32298 2.37485 2.4186 2.45562 2.48694 2.51352 2.53623 2.55667 2.57712 2.59753 2.61433 2.62635 2.63478 2.64067 2.64457 2.64677 2.64748 2.64674 2.6444 2.64022 2.63395 2.62527 2.61382 2.59917 2.58082 2.55818 2.53058 2.49722 2.45752 2.41171 2.35909 2.29402 2.21362 2.11661 2.00145 1.87181 1.71444 1.51364 1.26576 0.962021 0.6206 0.175134 -0.368492 -1.07615 -1.89824 -2.79993 -3.38682 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1585324701565e-19 2.62002342781386e-19 2.92233813688332e-19 3.14327829471192e-19 3.32365134016764e-19 3.4963980248455196e-19 3.6222489994462194e-19 3.7218242772493196e-19 3.8049291792548996e-19 3.8750244069923996e-19 3.93433698598308e-19 3.98451715815996e-19 4.02710301309168e-19 4.06348844444982e-19 4.0962369348487797e-19 4.1290014470140795e-19 4.1617018721140196e-19 4.1886184395652193e-19 4.2078766027058995e-19 4.22138295173052e-19 4.2308197721047796e-19 4.2370682609773795e-19 4.24059304957218e-19 4.2417305949823194e-19 4.2405449842731593e-19 4.2367958909495997e-19 4.2300987926194794e-19 4.2200531451242996e-19 4.20614625194118e-19 4.18780132948188e-19 4.16432944179378e-19 4.13492950055988e-19 4.0986562215661197e-19 4.05443614646772e-19 4.00098753395748e-19 3.93738112158768e-19 3.8639854099841394e-19 3.77967887550306e-19 3.67542524192868e-19 3.54661024055508e-19 3.39118308529074e-19 3.2066764241193003e-19 2.99897024528754e-19 2.74683570839496e-19 2.42511864028776e-19 2.0279710962518399e-19 1.541327567617314e-19 9.943108190604e-20 2.80595602618956e-20 -5.903892722159279e-20 -1.7241823846790998e-19 -3.0413157737241596e-19 -4.485982422835619e-19 -5.42628386756388e-19 ] } }