{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.17946 3.899421 3.725865 3.599766 3.500669 3.419023 3.349594 3.289196 3.235748 3.187815 3.144364 3.104628 3.068022 3.034088 3.002463 2.972852 2.945014 2.918749 2.893888 2.87029 2.847831 2.826407 2.805926 2.78631 2.766479 2.746042 2.724963 2.703199 2.680704 2.657427 2.633312 2.608297 2.582312 2.555278 2.527107 2.497699 2.466941 2.434703 2.400834 2.365162 2.327483 2.287558 2.245103 2.199774 2.151154 2.098727 2.041847 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.17946e-10 3.899421e-10 3.725865e-10 3.599766e-10 3.500669e-10 3.4190230000000004e-10 3.349594e-10 3.289196e-10 3.2357480000000003e-10 3.187815e-10 3.144364e-10 3.104628e-10 3.068022e-10 3.034088e-10 3.0024630000000003e-10 2.9728520000000004e-10 2.945014e-10 2.918749e-10 2.893888e-10 2.87029e-10 2.847831e-10 2.8264070000000004e-10 2.805926e-10 2.78631e-10 2.766479e-10 2.746042e-10 2.724963e-10 2.703199e-10 2.680704e-10 2.6574270000000004e-10 2.6333120000000003e-10 2.608297e-10 2.582312e-10 2.555278e-10 2.527107e-10 2.497699e-10 2.4669409999999997e-10 2.434703e-10 2.400834e-10 2.365162e-10 2.327483e-10 2.2875580000000002e-10 2.245103e-10 2.1997740000000002e-10 2.151154e-10 2.0987269999999998e-10 2.0418470000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.461085 0.981578 1.58673 2.16098 2.59615 2.90448 3.13272 3.32639 3.50239 3.65861 3.79181 3.9034 3.99604 4.07237 4.13457 4.18462 4.22441 4.25594 4.28112 4.30142 4.31756 4.32918 4.3359 4.33801 4.33584 4.32895 4.31663 4.2977 4.27017 4.23134 4.17749 4.10361 4.0045 3.87472 3.70922 3.50819 3.2769 3.01756 2.72821 2.3991 2.02481 1.61759 1.23281 1.01755 1.30336 2.91142 7.87558 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.3873961328789e-20 1.5726613360484518e-19 2.54222173046682e-19 3.4622716625413194e-19 4.1594908683591e-19 4.653489989920319e-19 5.01917078486448e-19 5.32946433357126e-19 5.61144742115526e-19 5.86173945491874e-19 6.07514938256754e-19 6.253936273155599e-19 6.402361916529359e-19 6.52465605900258e-19 6.62431144563738e-19 6.704500386169079e-19 6.768250994435939e-19 6.818767623705959e-19 6.859110431350079e-19 6.89163461702028e-19 6.91749374789304e-19 6.93611104038012e-19 6.946877667360599e-19 6.950258260058339e-19 6.94678153676256e-19 6.935742539754299e-19 6.916003723623419e-19 6.885674519941799e-19 6.84156659720778e-19 6.77935407850956e-19 6.693076866768659e-19 6.574708057048739e-19 6.415916330853e-19 6.207985847292479e-19 5.94282561436548e-19 5.62074004563246e-19 5.2501726119546e-19 4.83466412369304e-19 4.371074314645139e-19 3.8437819626293995e-19 3.2441032702895396e-19 2.59166490139206e-19 1.9751793761615398e-19 1.6302948339267e-19 2.0882129376902399e-19 4.66460909576028e-19 1.261807025519772e-18 ] } }