{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" [ 4.51275 4.210379 4.022982 3.886827 3.779827 3.69167 3.616704 3.55149 3.49378 3.442024 3.395108 3.352203 3.312678 3.276038 3.24189 3.209918 3.17986 3.151501 3.124658 3.099177 3.074927 3.051794 3.029681 3.0085 2.994081 2.978905 2.962889 2.945934 2.927924 2.908718 2.888146 2.865999 2.842015 2.815861 2.787107 2.755177 2.719282 2.678294 2.630528 2.573285 2.501855 2.4068 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.51275e-10 4.210379e-10 4.022982e-10 3.886827e-10 3.779827e-10 3.69167e-10 3.6167040000000003e-10 3.55149e-10 3.49378e-10 3.442024e-10 3.395108e-10 3.352203e-10 3.312678e-10 3.276038e-10 3.2418900000000004e-10 3.209918e-10 3.17986e-10 3.151501e-10 3.124658e-10 3.0991770000000004e-10 3.074927e-10 3.0517940000000004e-10 3.029681e-10 3.0085000000000005e-10 2.994081e-10 2.9789050000000005e-10 2.9628890000000003e-10 2.945934e-10 2.927924e-10 2.908718e-10 2.888146e-10 2.865999e-10 2.842015e-10 2.815861e-10 2.787107e-10 2.7551770000000004e-10 2.719282e-10 2.678294e-10 2.630528e-10 2.5732849999999997e-10 2.501855e-10 2.4068e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0605973 0.00729273 0.0607522 0.290859 0.661915 1.11101 1.59691 2.08068 2.52436 2.90943 3.22013 3.4447 3.58985 3.67222 3.7118 3.72904 3.74229 3.76586 3.80816 3.86987 3.94507 4.02226 4.08459 4.11067 4.09406 4.03107 3.89507 3.64674 3.22845 2.55515 1.66377 0.647263 -0.519034 -1.86665 -3.43673 -5.28575 -7.49059 -10.1545 -13.4233 -17.5157 -22.8052 -30.9185 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.70875781434882e-21 1.1684241604070819e-21 9.73357553040948e-21 4.6600749358860595e-20 1.06050474669411e-19 1.78003426214034e-19 2.55853188860094e-19 3.3336168788311197e-19 4.04447060780424e-19 4.661420764258619e-19 5.15921704444242e-19 5.519017851139799e-19 5.7515737895649e-19 5.883545078907479e-19 5.9469592300812e-19 5.974580755251359e-19 5.995809595651859e-19 6.033572898915239e-19 6.10134497053344e-19 6.20021529061758e-19 6.320698973494379e-19 6.44437098787284e-19 6.54423465747006e-19 6.586019424084779e-19 6.559407270194039e-19 6.458486164018379e-19 6.240590141794379e-19 5.842721618273159e-19 5.1725471540373e-19 4.0938016263650996e-19 2.6656534183501797e-19 1.037029654652742e-19 -8.31584147051556e-20 -2.9907030138560997e-19 -5.50624850336682e-19 -8.468705143165499e-19 -1.2001248272874059e-18 -1.6269302629953e-18 -2.15064976111722e-18 -2.8063245268153796e-18 -3.65379585736968e-18 -4.9536898258329e-18 ] } }