{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 8.15618 7.609685 7.270989 7.024909 6.83152 6.672189 6.536697 6.418831 6.314528 6.220986 6.136192 6.058647 5.98721 5.920988 5.859272 5.801486 5.747161 5.695905 5.647389 5.601336 5.557508 5.515699 5.475731 5.43745 5.39875 5.358868 5.317732 5.27526 5.231362 5.185938 5.138879 5.090062 5.039352 4.986596 4.931621 4.874232 4.814209 4.751296 4.685203 4.615589 4.54206 4.464148 4.381297 4.292838 4.197957 4.095648 3.984648 3.863342 3.72962 3.580646 3.412488 3.219465 2.992924 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.156180000000001e-10 7.609685e-10 7.270989000000001e-10 7.024909e-10 6.831520000000001e-10 6.672189000000001e-10 6.536697000000001e-10 6.418831e-10 6.314528e-10 6.220986e-10 6.136192000000001e-10 6.058647e-10 5.987210000000001e-10 5.920988000000001e-10 5.859272e-10 5.801486e-10 5.747161000000001e-10 5.695904999999999e-10 5.647389e-10 5.601336e-10 5.557508e-10 5.515699e-10 5.475731e-10 5.437450000000001e-10 5.39875e-10 5.358868e-10 5.317732000000001e-10 5.27526e-10 5.231362e-10 5.185938e-10 5.138879e-10 5.090062e-10 5.039352e-10 4.986596e-10 4.931621e-10 4.874232e-10 4.814209000000001e-10 4.751296e-10 4.685202999999999e-10 4.615589e-10 4.5420600000000004e-10 4.464148e-10 4.381297e-10 4.292838e-10 4.197957e-10 4.095648e-10 3.984648e-10 3.863342e-10 3.7296200000000004e-10 3.580646e-10 3.412488e-10 3.2194650000000003e-10 2.992924e-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" [ 1.41776 2.01047 2.3721 2.62295 2.80573 2.94185 3.04679 3.12972 3.19892 3.25854 3.31055 3.35597 3.39544 3.42951 3.45871 3.48349 3.50428 3.52145 3.53534 3.54626 3.55448 3.56019 3.56353 3.56463 3.56345 3.55961 3.55264 3.54195 3.52685 3.50654 3.48004 3.44618 3.4035 3.35021 3.28409 3.20234 3.10145 2.97691 2.8228 2.63086 2.38966 2.08326 1.68949 1.17734 0.502282 -0.400474 -1.61659 -3.24337 -5.43319 -8.52074 -13.1452 -20.3064 -32.0075 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2715019446198396e-19 3.22112805735798e-19 3.8005231935114e-19 4.2024292021502996e-19 4.49527504731282e-19 4.713363330732899e-19 4.88149574670486e-19 5.01436425496248e-19 5.12523487803528e-19 5.22075664895436e-19 5.3040858556887e-19 5.37685671840498e-19 5.440094630148959e-19 5.49468078806934e-19 5.541464345782139e-19 5.58116628277266e-19 5.61447553499352e-19 5.6419849077993e-19 5.66423914124556e-19 5.68173491008884e-19 5.69490480202032e-19 5.704053230600459e-19 5.70940450055802e-19 5.71116689485542e-19 5.7092763264273e-19 5.70312396815274e-19 5.691956797013759e-19 5.674829528796299e-19 5.6506366616229e-19 5.61809645418636e-19 5.575638773385359e-19 5.52138907255812e-19 5.453008173819e-19 5.36762818099314e-19 5.26169226195306e-19 5.130714322123559e-19 4.969070721519299e-19 4.76953564352094e-19 4.5226242024552e-19 4.21510241932524e-19 3.82865741520444e-19 3.33775049454684e-19 2.70686140137666e-19 1.8863066382735598e-19 8.04744484078788e-20 -6.416300853245159e-20 -2.59006272475806e-19 -5.19645162941658e-19 -8.704930066082459e-19 -1.3651730532389159e-18 -2.10609322892568e-18 -3.25344396006576e-18 -5.1281668612755e-18 ] } }