{ "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" [ 9.47825 8.843172 8.449575 8.163607 7.93887 7.753712 7.596258 7.459287 7.338077 7.229373 7.130834 7.04072 6.957703 6.880747 6.809027 6.741874 6.678743 6.619179 6.562799 6.509281 6.458348 6.409762 6.363316 6.31883 6.288545 6.256671 6.223032 6.187422 6.149594 6.109255 6.066047 6.01953 5.969155 5.914225 5.853832 5.786768 5.711376 5.625289 5.524962 5.404735 5.254707 5.05506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.478249999999999e-10 8.843171999999999e-10 8.449575e-10 8.163607000000001e-10 7.93887e-10 7.753712000000001e-10 7.596258e-10 7.459287e-10 7.338077000000001e-10 7.229373000000001e-10 7.130834e-10 7.04072e-10 6.957703000000001e-10 6.880747e-10 6.809027e-10 6.741874e-10 6.678743e-10 6.619179e-10 6.562799e-10 6.509281e-10 6.458348e-10 6.409762e-10 6.363316e-10 6.31883e-10 6.288545e-10 6.256671e-10 6.223032e-10 6.187422e-10 6.149593999999999e-10 6.109255e-10 6.066047e-10 6.01953e-10 5.969155e-10 5.914225e-10 5.853832e-10 5.786768e-10 5.711376e-10 5.625289000000001e-10 5.524962e-10 5.404735e-10 5.254707e-10 5.05506e-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" [ 1.13231 1.39872 1.58132 1.72006 1.83101 1.9224 1.99913 2.06439 2.12037 2.16833 2.20267 2.23853 2.26957 2.29636 2.31938 2.33903 2.35563 2.36948 2.3808 2.38979 2.39657 2.40129 2.40405 2.40495 2.40451 2.40308 2.40042 2.39624 2.39018 2.38173 2.37027 2.3549 2.33445 2.30721 2.27076 2.22143 2.15353 2.05774 1.91773 1.70236 1.34459 0.670551 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8141606244445398e-19 2.2409965015084796e-19 2.53355395487688e-19 2.7558399410780397e-19 2.93360143862034e-19 3.0800243612016e-19 3.20295937432842e-19 3.30751742146326e-19 3.3972072694345796e-19 3.47404766080122e-19 3.52906640641278e-19 3.5865204605080194e-19 3.63625202322738e-19 3.67917433525224e-19 3.71605644136692e-19 3.74753921222502e-19 3.77413534434942e-19 3.7963254907303193e-19 3.8144621302271996e-19 3.8288656981668597e-19 3.8397284557453797e-19 3.8472907294578596e-19 3.851712736967699e-19 3.8531546959382997e-19 3.85244973821934e-19 3.8501586256327197e-19 3.84589683578628e-19 3.83919973745616e-19 3.82949054705412e-19 3.81595215449682e-19 3.79759121027118e-19 3.7729657554066e-19 3.7402012432413e-19 3.69655795173114e-19 3.63815861342184e-19 3.5591232400666194e-19 3.4503354466180197e-19 3.29686294684716e-19 3.07254219632082e-19 2.72748141465624e-19 2.1542706803100597e-19 1.074341144105334e-19 ] } }