{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.30541 7.748917 7.404025 7.153442 6.956515 6.794268 6.656298 6.536276 6.430064 6.334811 6.248466 6.169502 6.096758 6.029325 5.966479 5.907636 5.852317 5.800123 5.75072 5.703824 5.659194 5.61662 5.575922 5.53694 5.510402 5.482472 5.452996 5.421792 5.388645 5.353298 5.315436 5.274676 5.230534 5.182401 5.129481 5.070716 5.004653 4.929218 4.841306 4.735956 4.604492 4.42955 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.30541e-10 7.748917e-10 7.404025e-10 7.153442e-10 6.956514999999999e-10 6.794268e-10 6.656297999999999e-10 6.536276e-10 6.430064e-10 6.334811e-10 6.248466e-10 6.169502e-10 6.096758e-10 6.029325e-10 5.966479e-10 5.907636e-10 5.852317000000001e-10 5.800123000000001e-10 5.750720000000001e-10 5.703824e-10 5.659194000000001e-10 5.61662e-10 5.575922e-10 5.53694e-10 5.510402000000001e-10 5.482472e-10 5.452995999999999e-10 5.421792e-10 5.388645e-10 5.353298e-10 5.315436e-10 5.274676000000001e-10 5.230534e-10 5.182401e-10 5.129481e-10 5.070716e-10 5.004653000000001e-10 4.929217999999999e-10 4.841306e-10 4.735956e-10 4.604492e-10 4.42955e-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" [ 0 0 0 0 0.00329491 0.330534 0.935548 1.52935 1.96743 2.21022 2.28313 2.32008 2.35184 2.37905 2.40225 2.42188 2.43831 2.45186 2.46279 2.47134 2.47771 2.48207 2.48459 2.4854 2.48502 2.48375 2.48143 2.47782 2.47264 2.46552 2.45598 2.44339 2.42691 2.40538 2.37716 2.33987 2.28993 2.2217 2.12572 1.98488 1.76463 1.38257 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.27902781313294e-22 5.2957385154255596e-20 1.498913145585432e-19 2.4502888352079e-19 3.15217037503062e-19 3.54116283999948e-19 3.6579775383844194e-19 3.7171779650107195e-19 3.76806309490656e-19 3.8116583211176997e-19 3.8488288190264997e-19 3.8802795463519195e-19 3.90660330844854e-19 3.9283128018392395e-19 3.9458245924488596e-19 3.95952320266956e-19 3.96972906782814e-19 3.9767145579523803e-19 3.9807520430700596e-19 3.9820498061435993e-19 3.9814409790226795e-19 3.9794062146974997e-19 3.97568916490662e-19 3.9699053072578795e-19 3.96160603229376e-19 3.95019853465968e-19 3.934913769571319e-19 3.9147423657492596e-19 3.8883384948209396e-19 3.85384363189092e-19 3.80863020727944e-19 3.7488850405975796e-19 3.6688723394956197e-19 3.5595558277577994e-19 3.4057789144264795e-19 3.18012835729392e-19 2.82724895365542e-19 2.21512134886938e-19 ] } }