{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" [ 4.95821 4.625991 4.420095 4.2705 4.152937 4.056078 3.973712 3.90206 3.838653 3.781789 3.730241 3.683101 3.639674 3.599417 3.561899 3.526771 3.493746 3.462587 3.433094 3.405098 3.378454 3.353038 3.328742 3.30547 3.281944 3.2577 3.232693 3.206874 3.180187 3.152574 3.123966 3.09429 3.063463 3.031392 2.997973 2.963086 2.926597 2.888352 2.848173 2.805855 2.761156 2.713792 2.663426 2.609652 2.551973 2.489778 2.422301 2.348558 2.267268 2.176705 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.958210000000001e-10 4.625991e-10 4.420095e-10 4.2705000000000004e-10 4.1529369999999996e-10 4.0560780000000003e-10 3.973712e-10 3.90206e-10 3.838653e-10 3.781789e-10 3.730241e-10 3.683101e-10 3.639674e-10 3.599417e-10 3.561899e-10 3.526771e-10 3.4937459999999997e-10 3.462587e-10 3.4330940000000004e-10 3.4050980000000004e-10 3.378454e-10 3.3530380000000004e-10 3.328742e-10 3.3054700000000004e-10 3.2819440000000004e-10 3.2577e-10 3.232693e-10 3.206874e-10 3.180187e-10 3.152574e-10 3.123966e-10 3.0942900000000003e-10 3.063463e-10 3.031392e-10 2.997973e-10 2.963086e-10 2.926597e-10 2.888352e-10 2.848173e-10 2.805855e-10 2.761156e-10 2.7137920000000005e-10 2.663426e-10 2.609652e-10 2.551973e-10 2.4897779999999997e-10 2.4223010000000003e-10 2.348558e-10 2.2672680000000002e-10 2.1767050000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.79124 3.01161 3.11422 3.18072 3.23428 3.2802 3.31945 3.35269 3.381 3.40578 3.42833 3.44965 3.47033 3.49056 3.51026 3.52914 3.54684 3.56296 3.57715 3.58911 3.5986 3.60548 3.60963 3.61101 3.60947 3.60443 3.59518 3.58089 3.56065 3.53342 3.49798 3.4529 3.39647 3.32655 3.24044 3.13463 3.00459 2.84438 2.6463 2.40012 2.09179 1.70089 1.19615 0.528792 -0.376599 -1.63452 -3.41857 -6.003 -9.8609 -15.2874 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.47205950788616e-19 4.82513117272074e-19 4.98953051713548e-19 5.0960752632964795e-19 5.18188784381352e-19 5.255459794846799e-19 5.3183452277313e-19 5.37160157904546e-19 5.416959199553999e-19 5.456661136544519e-19 5.49279021964122e-19 5.5269486254781e-19 5.56008163826922e-19 5.592493671575039e-19 5.62405655126484e-19 5.65430564611476e-19 5.68266417253656e-19 5.708491259876639e-19 5.7312261463131e-19 5.75038817885574e-19 5.765592835112399e-19 5.776615810354319e-19 5.783264843385419e-19 5.785475847140339e-19 5.78300849512398e-19 5.774933524888619e-19 5.76011339102412e-19 5.73721828692426e-19 5.704790231852099e-19 5.66116296210828e-19 5.60438182219932e-19 5.5321556995386e-19 5.44174487208198e-19 5.329720681832699e-19 5.191757251878959e-19 5.022230942235419e-19 4.813883892750059e-19 4.55719917421692e-19 4.2398400265542e-19 3.8454161827960796e-19 3.35141706123486e-19 2.7251262150042596e-19 1.9164435807591e-19 8.47218186646128e-20 -6.03378118187766e-20 -2.61878975180568e-19 -5.477152975693379e-19 -9.617866333902e-19 -1.57989035702106e-18 -2.44931150746116e-18 ] } }