{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.71717 7.200091 6.879626 6.646791 6.463812 6.313057 6.184858 6.073336 5.974648 5.886141 5.805911 5.73254 5.664949 5.602291 5.543897 5.489221 5.43782 5.389323 5.343419 5.299845 5.258375 5.218817 5.181001 5.14478 5.108162 5.070428 5.031506 4.99132 4.949784 4.906805 4.862279 4.81609 4.768109 4.718192 4.666176 4.611877 4.555084 4.495557 4.433021 4.367155 4.297583 4.223864 4.145472 4.061774 3.972 3.875198 3.770172 3.655396 3.528871 3.387915 3.228808 3.046174 2.831826 2.57239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.717170000000001e-10 7.200091e-10 6.879626000000001e-10 6.646791e-10 6.463812e-10 6.313057e-10 6.184858e-10 6.073336e-10 5.974648e-10 5.886141000000001e-10 5.805911e-10 5.73254e-10 5.664949e-10 5.602291000000001e-10 5.543897000000001e-10 5.489221e-10 5.437820000000001e-10 5.389323e-10 5.343419e-10 5.299845000000001e-10 5.258375e-10 5.218817e-10 5.181001e-10 5.14478e-10 5.108162e-10 5.070428e-10 5.031506e-10 4.99132e-10 4.949784e-10 4.906805000000001e-10 4.862279e-10 4.81609e-10 4.768109e-10 4.718192e-10 4.666176e-10 4.611877e-10 4.555084e-10 4.495557e-10 4.433021e-10 4.3671550000000003e-10 4.2975830000000005e-10 4.223864e-10 4.145472e-10 4.061774e-10 3.9720000000000003e-10 3.875198e-10 3.7701720000000005e-10 3.6553960000000004e-10 3.528871e-10 3.387915e-10 3.228808e-10 3.0461740000000003e-10 2.831826e-10 2.57239e-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" [ 1.01837 1.40511 1.66432 1.84899 1.98507 2.08771 2.16574 2.21924 2.24657 2.2487 2.23327 2.21646 2.20833 2.20889 2.21521 2.2252 2.23733 2.25051 2.26394 2.27691 2.28833 2.29723 2.30293 2.30491 2.3026 2.29484 2.2804 2.25871 2.23185 2.20295 2.17587 2.15353 2.13603 2.12299 2.11387 2.1079 2.104 2.10072 2.0961 2.08679 2.06472 2.01971 1.93881 1.81599 1.65628 1.42997 1.07986 0.612136 0.0108524 -1.20287 -4.98866 -14.5916 -41.2167 -119.002 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.63160861876658e-19 2.25123441019974e-19 2.6665346154988797e-19 2.9624085744996597e-19 3.1804327708543796e-19 3.34488018056814e-19 3.46989802331916e-19 3.5556144732381597e-19 3.59940196064538e-19 3.6028145968757995e-19 3.57809301141318e-19 3.55116042219564e-19 3.53813472616122e-19 3.5390319450762594e-19 3.54915770140314e-19 3.5651634459767997e-19 3.58459784854722e-19 3.6057145365833394e-19 3.6272317687779594e-19 3.64801199972094e-19 3.6663088568812203e-19 3.6805682289238195e-19 3.68970063573762e-19 3.6928729454729396e-19 3.6891719174483998e-19 3.6767390267685603e-19 3.6536035961736e-19 3.61885238498214e-19 3.5758179205929e-19 3.5295150158703e-19 3.48612807262158e-19 3.4503354466180197e-19 3.4222973555230195e-19 3.40140497221566e-19 3.3867931213135796e-19 3.3772281268085997e-19 3.370979637936e-19 3.3657244985764795e-19 3.3583224425273994e-19 3.34340617806486e-19 3.3080461397524795e-19 3.2359321694561395e-19 3.1063160797655396e-19 2.90953674557766e-19 2.6536531153615197e-19 2.29106452132098e-19 1.73012645999124e-19 9.807499960302239e-20 1.73874617028216e-21 -1.92721020773958e-19 -7.99271448697044e-19 -2.3378320572674396e-18 -6.60364336705878e-18 -1.9066222379926798e-17 ] } }