{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.83277 7.307946 6.982681 6.746359 6.560638 6.407626 6.277507 6.164315 6.064148 5.974316 5.892884 5.818414 5.74981 5.686214 5.626945 5.571451 5.519279 5.470056 5.423464 5.379237 5.337147 5.296996 5.258613 5.22185 5.196822 5.170482 5.142683 5.113255 5.081995 5.048659 5.012952 4.974511 4.932882 4.887487 4.837579 4.782158 4.719855 4.648713 4.565804 4.466448 4.342467 4.17748 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83277e-10 7.307946e-10 6.982681e-10 6.746359e-10 6.560638e-10 6.407626e-10 6.277507e-10 6.164315000000001e-10 6.064148000000001e-10 5.974316000000001e-10 5.892883999999999e-10 5.818414e-10 5.74981e-10 5.686214e-10 5.626945e-10 5.571451e-10 5.519279e-10 5.470056e-10 5.423464e-10 5.379237e-10 5.337147e-10 5.296996e-10 5.258613000000001e-10 5.22185e-10 5.196822e-10 5.170482e-10 5.142683e-10 5.113254999999999e-10 5.081995e-10 5.048659e-10 5.012952e-10 4.974511e-10 4.932882e-10 4.887487e-10 4.837579e-10 4.782158e-10 4.719855000000001e-10 4.648713e-10 4.565804e-10 4.466448e-10 4.342467e-10 4.17748e-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" [ 0.906706 1.24015 1.49771 1.71583 1.90853 2.07873 2.22742 2.35572 2.46545 2.55919 2.63938 2.70802 2.76671 2.81672 2.85909 2.89468 2.92421 2.9483 2.96752 2.98235 2.99323 3.00057 3.00473 3.00605 3.00543 3.00344 2.99981 2.99421 2.98624 2.97536 2.96088 2.94193 2.91731 2.88543 2.84412 2.79041 2.72018 2.62781 2.50629 2.34757 2.14037 1.85119 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4527031671076039e-19 1.9869393526551e-19 2.39959596650814e-19 2.7490627339162197e-19 3.05780217128802e-19 3.3304926343948203e-19 3.5687202781042796e-19 3.7742795402464797e-19 3.9500863822953e-19 4.10027441996646e-19 4.22875296424692e-19 4.33872636840468e-19 4.432758115054139e-19 4.51288296852048e-19 4.58076719250306e-19 4.63778865890712e-19 4.68510093490914e-19 4.7236973700222e-19 4.75449120492768e-19 4.7782514844099e-19 4.795683166187819e-19 4.80744314268138e-19 4.814108197478819e-19 4.8162230706357e-19 4.81522972112262e-19 4.81204138962096e-19 4.80622548843954e-19 4.797253299289139e-19 4.78448395151616e-19 4.767052269738239e-19 4.74385275207792e-19 4.71349150486362e-19 4.67404591613454e-19 4.62296852504262e-19 4.55678260829208e-19 4.47072970127994e-19 4.35820883627412e-19 4.21021578059154e-19 4.0155192760278595e-19 3.76122180067938e-19 3.4292508021145797e-19 2.96593336309446e-19 ] } }