{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.2569 8.636654 8.252251 7.972961 7.753473 7.57264 7.418863 7.285091 7.166712 7.060547 6.964309 6.8763 6.795222 6.720063 6.650018 6.584434 6.522777 6.464604 6.409541 6.357273 6.30753 6.260079 6.214717 6.17127 6.127346 6.082083 6.035395 5.987191 5.937368 5.885813 5.832403 5.776999 5.719445 5.659568 5.597174 5.53204 5.463916 5.392513 5.317499 5.238491 5.155038 5.06661 4.972577 4.87218 4.764494 4.648377 4.522397 4.38472 4.23295 4.063871 3.873018 3.653944 3.39683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.2569e-10 8.636654000000001e-10 8.252250999999999e-10 7.972961e-10 7.753473e-10 7.57264e-10 7.418863000000001e-10 7.285091e-10 7.166712e-10 7.060547e-10 6.964309e-10 6.8763e-10 6.795222e-10 6.720063e-10 6.650018e-10 6.584434e-10 6.522776999999999e-10 6.464604e-10 6.409541e-10 6.357273e-10 6.30753e-10 6.260079e-10 6.214717e-10 6.17127e-10 6.127346e-10 6.082083e-10 6.035395e-10 5.987191e-10 5.937368000000001e-10 5.885812999999999e-10 5.832403e-10 5.776999e-10 5.719445000000001e-10 5.659568e-10 5.597174e-10 5.53204e-10 5.463916e-10 5.392513000000001e-10 5.317499e-10 5.238491e-10 5.155038e-10 5.06661e-10 4.972577000000001e-10 4.872180000000001e-10 4.764494000000001e-10 4.648377e-10 4.522397e-10 4.38472e-10 4.23295e-10 4.063871e-10 3.873018e-10 3.653944e-10 3.3968300000000004e-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" [ 0.344027 0.528558 0.67997 0.815588 0.94593 1.06468 1.16908 1.26083 1.34199 1.41421 1.47906 1.53799 1.59207 1.64179 1.6872 1.7282 1.76472 1.79671 1.82381 1.8457 1.86235 1.8739 1.88061 1.88277 1.88049 1.87328 1.86048 1.84135 1.815 1.78041 1.73633 1.68133 1.61368 1.53128 1.43148 1.31099 1.16578 0.991073 0.781425 0.530693 0.231591 -0.125565 -0.554722 -1.07559 -1.71499 -2.50817 -3.50371 -4.78145 -6.47187 -8.79489 -12.1506 -17.4674 -26.2656 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.51192020865118e-20 8.468432773137719e-20 1.0894320458209798e-19 1.306716036570792e-19 1.51554694339962e-19 1.70580541868712e-19 1.8730726592767197e-19 2.0200723654462197e-19 2.15010502106166e-19 2.2658142175691397e-19 2.36971537228404e-19 2.46413164132566e-19 2.55077735369238e-19 2.63043757593486e-19 2.7031924168848e-19 2.7688816588788e-19 2.8273931495524797e-19 2.8786467800741397e-19 2.9220657668555395e-19 2.9571374133737995e-19 2.9838136543298997e-19 3.0023187944526e-19 3.0130693996667394e-19 3.01653010119618e-19 3.0128771384706598e-19 3.00132544493952e-19 2.9808175840243197e-19 2.9501679450159e-19 2.9079505907099997e-19 2.85253130093994e-19 2.7819073549132197e-19 2.69378764004322e-19 2.58540039075312e-19 2.45338103611152e-19 2.29348380803832e-19 2.10043754540766e-19 1.8677854763845198e-19 1.5878740031882818e-19 1.25198087622345e-19 8.502639244273618e-20 3.7104968884469395e-20 -2.0117730904821e-20 -8.88762626765748e-20 -1.72328516576406e-19 -2.74771690554366e-19 -4.0185313680997794e-19 -5.613562294312139e-19 -7.6607274666393e-19 -1.0369078892285579e-18 -1.409096725660026e-18 -1.94674074090804e-18 -2.7985860136731602e-18 -4.2082130597990396e-18 ] } }