{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.69539 8.112767 7.751681 7.489333 7.283159 7.113295 6.968846 6.843188 6.73199 6.632265 6.541864 6.459194 6.383034 6.312434 6.246638 6.185032 6.127115 6.072471 6.020748 5.97165 5.924924 5.880352 5.837742 5.79693 5.755671 5.713153 5.669297 5.624017 5.577216 5.528789 5.478618 5.426574 5.372512 5.316267 5.257658 5.196475 5.132483 5.065411 4.994948 4.920732 4.842341 4.759277 4.670948 4.576641 4.475487 4.366413 4.248075 4.118749 3.976186 3.817362 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.69539e-10 8.112767e-10 7.751681e-10 7.489333e-10 7.283159000000001e-10 7.113295e-10 6.968846e-10 6.843188e-10 6.73199e-10 6.632265e-10 6.541864000000001e-10 6.459194e-10 6.383034e-10 6.312434e-10 6.246638000000001e-10 6.185032e-10 6.127115e-10 6.072471000000001e-10 6.020748000000001e-10 5.971650000000001e-10 5.924924e-10 5.880352000000001e-10 5.837742e-10 5.79693e-10 5.755671e-10 5.713153e-10 5.669297e-10 5.624017000000001e-10 5.577216e-10 5.528789e-10 5.478618000000001e-10 5.426574e-10 5.372512000000001e-10 5.316267e-10 5.257658e-10 5.196475000000001e-10 5.132483e-10 5.065411e-10 4.994948e-10 4.920732e-10 4.842341000000001e-10 4.759277e-10 4.670948000000001e-10 4.5766410000000007e-10 4.475487e-10 4.366413e-10 4.2480750000000003e-10 4.1187490000000006e-10 3.9761860000000004e-10 3.8173620000000005e-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" [ 0.584528 0.865592 1.09706 1.30199 1.49445 1.67828 1.84855 2.00064 2.13422 2.25141 2.35473 2.44632 2.52788 2.60067 2.66557 2.72315 2.77367 2.81725 2.85388 2.88357 2.90635 2.92236 2.93179 2.93487 2.93155 2.9208 2.90133 2.87164 2.82998 2.77427 2.70204 2.61039 2.49591 2.35458 2.18154 1.96961 1.70974 1.39039 0.996442 0.507844 -0.102156 -0.869676 -1.84426 -3.09505 -4.7201 -6.86225 -9.73862 -13.6957 -19.3027 -27.5269 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.36517103518752e-20 1.386831276977328e-19 1.7576838980960398e-19 2.0860179557016598e-19 2.3943728706813e-19 2.68890100130952e-19 2.9617036167807e-19 3.20537866104576e-19 3.4193974158154796e-19 3.6071564955539394e-19 3.77269338537882e-19 3.91943674328688e-19 4.05011026955592e-19 4.16673270674478e-19 4.2707139702913803e-19 4.3629673008771e-19 4.44390926442678e-19 4.5137321221365e-19 4.57241985223992e-19 4.61998847650338e-19 4.6564860602259e-19 4.682136908136239e-19 4.69724543379486e-19 4.70218013782758e-19 4.6968609114027e-19 4.679637512587199e-19 4.64844313352322e-19 4.60087450925976e-19 4.534127830687319e-19 4.444870570407179e-19 4.32914535213336e-19 4.18230586362726e-19 3.9988886825669394e-19 3.7724530588837194e-19 3.49521241413636e-19 3.1556631200927397e-19 2.7393054782151597e-19 2.2276503701472597e-19 1.596476089536228e-19 8.136557905170959e-20 -1.63671956222904e-20 -1.393374566350584e-19 -2.95483027902084e-19 -4.9588167910617e-19 -7.5624339301434e-19 -1.09945366066665e-18 -1.5602989411405077e-18 -2.19429305262738e-18 -3.09263349131118e-18 -4.41029559864546e-18 ] } }