{ "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" [ 9.19046 8.574665 8.193019 7.915733 7.69782 7.518285 7.365612 7.232799 7.11527 7.009866 6.914319 6.826941 6.746445 6.671826 6.602283 6.537169 6.475955 6.418199 6.363531 6.311638 6.262252 6.215141 6.170106 6.12697 6.083362 6.038424 5.992071 5.944213 5.894747 5.843563 5.790537 5.73553 5.67839 5.618943 5.556997 5.492331 5.424696 5.353805 5.279331 5.20089 5.118036 5.030244 4.936886 4.83721 4.730297 4.615014 4.489938 4.35325 4.202571 4.034705 3.845223 3.627723 3.372455 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.19046e-10 8.574665e-10 8.193019e-10 7.915733000000001e-10 7.69782e-10 7.518285e-10 7.365612e-10 7.232799e-10 7.11527e-10 7.009866e-10 6.914319e-10 6.826941e-10 6.746444999999999e-10 6.671826000000001e-10 6.602283e-10 6.537168999999999e-10 6.475955e-10 6.418199e-10 6.363531e-10 6.311638000000001e-10 6.262252e-10 6.215141e-10 6.170106e-10 6.12697e-10 6.083362e-10 6.038424e-10 5.992071e-10 5.944213000000001e-10 5.894747e-10 5.843563e-10 5.790537e-10 5.73553e-10 5.678390000000001e-10 5.618943e-10 5.556997000000001e-10 5.492331e-10 5.424696e-10 5.353805e-10 5.279331e-10 5.20089e-10 5.118036e-10 5.030243999999999e-10 4.936886e-10 4.83721e-10 4.730297000000001e-10 4.6150140000000004e-10 4.4899380000000004e-10 4.3532500000000005e-10 4.202571e-10 4.034705e-10 3.845223e-10 3.6277230000000004e-10 3.372455e-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" [ 2.07154 2.18022 2.30594 2.43345 2.54983 2.65298 2.74473 2.82715 2.90149 2.96838 3.02816 3.08112 3.12761 3.16801 3.20277 3.23232 3.2571 3.27751 3.29396 3.30679 3.31633 3.32286 3.32662 3.32784 3.32655 3.32242 3.31497 3.30365 3.28776 3.26646 3.23874 3.20334 3.15873 3.10301 3.03377 2.94793 2.84144 2.70893 2.54332 2.33528 2.07271 1.73971 1.31483 0.76753 0.0514815 -0.907544 -2.23307 -3.82499 -3.85188 1.34913 18.1781 58.093 142.569 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.31897298439636e-19 3.4930975409794795e-19 3.69452318740596e-19 3.8988167300073e-19 4.08527804667222e-19 4.2505425664693197e-19 4.39754227263882e-19 4.5295936708131e-19 4.64869948178466e-19 4.75586907683292e-19 4.85164719601344e-19 4.93649847055008e-19 5.010983662264739e-19 5.07571159827834e-19 5.13140325807618e-19 5.17874757761088e-19 5.2184495146014e-19 5.25114993970134e-19 5.27750574533064e-19 5.298061671544859e-19 5.313346436633219e-19 5.323808650053239e-19 5.32983283419708e-19 5.33178748969056e-19 5.329720681832699e-19 5.32310369233428e-19 5.31116747641098e-19 5.2930308369141e-19 5.26757225019984e-19 5.233445887895639e-19 5.18903355160116e-19 5.132316498757559e-19 5.060843399114819e-19 4.97157011706834e-19 4.86063540693018e-19 4.723104564667619e-19 4.552488774912959e-19 4.34018434914162e-19 4.0748478767848796e-19 3.74153104984752e-19 3.3208475310581393e-19 2.78732271193614e-19 2.1065899036822198e-19 1.22971863189402e-19 8.248245638327099e-21 -1.454045791126896e-19 -3.57777257608638e-19 -6.128309603283659e-19 -6.171392132971919e-19 2.1615445622284199e-19 2.91245270705154e-18 9.3075247198962e-18 2.2842072053274597e-17 ] } }