{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.48975 6.054913 5.785418 5.589616 5.435739 5.308962 5.201153 5.107369 5.024377 4.949947 4.882478 4.820777 4.763935 4.711244 4.662137 4.616158 4.572932 4.532148 4.493545 4.456902 4.422028 4.388761 4.35696 4.3265 4.305764 4.28394 4.260907 4.236525 4.210625 4.183005 4.15342 4.12157 4.087079 4.049468 4.008117 3.962199 3.910578 3.851634 3.782941 3.700621 3.597898 3.4612 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.48975e-10 6.054913e-10 5.785418e-10 5.589616000000001e-10 5.435739e-10 5.308962e-10 5.201153e-10 5.107369000000001e-10 5.024377000000001e-10 4.949947e-10 4.882478e-10 4.820776999999999e-10 4.763935e-10 4.711244e-10 4.662137e-10 4.6161580000000006e-10 4.572932e-10 4.5321480000000006e-10 4.4935450000000004e-10 4.4569020000000005e-10 4.4220280000000005e-10 4.388761e-10 4.35696e-10 4.3265000000000005e-10 4.305764e-10 4.2839400000000004e-10 4.260907e-10 4.2365250000000005e-10 4.2106250000000006e-10 4.183005e-10 4.15342e-10 4.1215700000000003e-10 4.0870790000000003e-10 4.049468e-10 4.0081170000000006e-10 3.962199e-10 3.910578e-10 3.851634e-10 3.782941e-10 3.700621e-10 3.597898e-10 3.4612e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 9.84432e-52 1.66543e-08 0.000183471 0.00619462 0.0396893 0.12539 0.274066 0.481573 0.734606 1.01613 1.30887 1.59723 1.86809 2.11105 2.31821 2.48393 2.6044 2.67736 2.70175 2.68964 2.64934 2.5738 2.45421 2.27947 2.03542 1.70389 1.26121 0.676086 -0.0936134 -1.10571 -2.44171 -4.22009 -6.61996 -9.92603 -14.6227 -21.6157 -32.9501 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.5772339351673857e-70 2.6683130095789444e-27 2.939529467947968e-23 9.924875338740095e-22 6.358926855591744e-21 2.0089692648211203e-20 4.391021377561728e-20 7.715650018085184e-20 1.1769685586994049e-19 1.628019729693504e-19 2.0970409136664961e-19 2.559044564040384e-19 2.9930101235502723e-19 3.3822749553398404e-19 3.7141818641047686e-19 3.979694573703744e-19 4.1727087912115203e-19 4.2896035974650886e-19 4.3286806852464004e-19 4.309278326368512e-19 4.2447106085502722e-19 4.12368218661504e-19 3.932077884533568e-19 3.652113541814976e-19 3.261102337508736e-19 2.729932722414912e-19 2.020681175919168e-19 1.0832091828501888e-19 -1.4998520087359872e-20 -1.7715427113847682e-19 -3.9120506767735683e-19 -6.761329535671872e-19 -1.0606345142631168e-18 -1.5903253203359426e-18 -2.342814807297216e-18 -3.4632169182226564e-18 -5.279187987302208e-18 ] } }