{ "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" [ 9.28134 8.659456 8.274037 7.99401 7.773942 7.592631 7.438449 7.304323 7.185631 7.079186 6.982694 6.894452 6.81316 6.737803 6.667572 6.601815 6.539996 6.481669 6.42646 6.374054 6.32418 6.276603 6.231122 6.18756 6.157904 6.126692 6.093752 6.058882 6.021841 5.98234 5.940029 5.894479 5.845151 5.791362 5.732224 5.666554 5.592728 5.50843 5.410188 5.292459 5.145548 4.95005 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.28134e-10 8.659456e-10 8.274037e-10 7.994010000000001e-10 7.773942e-10 7.592631e-10 7.438449000000001e-10 7.304323e-10 7.185631e-10 7.079186e-10 6.982694e-10 6.894452000000001e-10 6.81316e-10 6.737803e-10 6.667572e-10 6.601815000000001e-10 6.539996000000001e-10 6.481669e-10 6.42646e-10 6.374054000000001e-10 6.324180000000001e-10 6.276603e-10 6.231122e-10 6.187560000000001e-10 6.157904e-10 6.126692000000001e-10 6.093752e-10 6.058882e-10 6.021841e-10 5.98234e-10 5.940029e-10 5.894479e-10 5.845151000000001e-10 5.791362000000001e-10 5.732224000000001e-10 5.666554e-10 5.592728e-10 5.50843e-10 5.410188e-10 5.292459e-10 5.145548e-10 4.95005e-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" [ 0.588138 0.845049 1.28037 2.07414 2.36786 2.49085 2.59091 2.66413 2.72951 2.79195 2.85422 2.91705 2.97499 3.02498 3.06652 3.10125 3.13043 3.15485 3.17519 3.19187 3.20499 3.21448 3.22025 3.22233 3.22116 3.21749 3.21096 3.20117 3.18741 3.16873 3.14377 3.11076 3.06722 3.00951 2.93233 2.82556 2.66923 2.43767 2.08903 1.53823 0.575422 -1.36741 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.423009534040705e-20 1.3539177512304194e-19 2.0513788799736962e-19 3.323138616266112e-19 3.793729933327488e-19 3.99078163591968e-19 4.1510954285969284e-19 4.2684068007719043e-19 4.373157108239808e-19 4.47319701644256e-19 4.572964554619777e-19 4.673629311704641e-19 4.766459425113792e-19 4.846552234387584e-19 4.913106651215617e-19 4.968750245256e-19 5.015501759050944e-19 5.05462691213088e-19 5.087215184597952e-19 5.1139394906328965e-19 5.134960047897792e-19 5.1501647040291845e-19 5.1594092631312e-19 5.162741790502464e-19 5.160867243856128e-19 5.154987255657793e-19 5.144525042323968e-19 5.128839733206336e-19 5.1067937829041285e-19 5.076865123627584e-19 5.036874795172416e-19 4.983986944919809e-19 4.914228174850176e-19 4.821766562063809e-19 4.698110570470465e-19 4.527046172667648e-19 4.2765779015379845e-19 3.905577883225536e-19 3.3469950261498246e-19 2.464516143413184e-19 9.219276754939777e-20 -2.190832333048128e-19 ] } }