{ "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" [ "No" "No" "No" "No" "No" "No" "No" "No" ] } "a" { "source-value" [ 11.7414 10.954679 10.4671 10.112849 9.83445 9.605081 9.41003 9.240353 9.090201 8.955541 8.833472 8.721841 8.619002 8.523671 8.434825 8.351638 8.273433 8.199645 8.129803 8.063507 8.000412 7.940225 7.882689 7.82758 7.790063 7.750579 7.708908 7.664795 7.617936 7.567965 7.51444 7.456816 7.394414 7.326367 7.251554 7.168478 7.075084 6.968442 6.844161 6.695226 6.509376 6.26206 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.17414e-09 1.0954679e-09 1.04671e-09 1.0112849000000002e-09 9.83445e-10 9.605081e-10 9.41003e-10 9.240353000000001e-10 9.090201000000001e-10 8.955541e-10 8.833472000000001e-10 8.721840999999999e-10 8.619002000000001e-10 8.523671e-10 8.434825e-10 8.351638e-10 8.273433000000001e-10 8.199645e-10 8.129803000000001e-10 8.063507e-10 8.000412000000001e-10 7.940225e-10 7.882689000000001e-10 7.827580000000001e-10 7.790063e-10 7.750579000000001e-10 7.708908000000001e-10 7.664795e-10 7.617936e-10 7.567965e-10 7.51444e-10 7.456816e-10 7.394414e-10 7.326367e-10 7.251554e-10 7.168478000000001e-10 7.075084000000001e-10 6.968441999999999e-10 6.844161e-10 6.695226e-10 6.509376e-10 6.26206e-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" [ 0.0587166 0.0880128 0.113761 0.13736 0.159418 0.180081 0.199574 0.217897 0.235109 0.251244 0.266337 0.280418 0.29345 0.305425 0.316382 0.3263 0.335124 0.342835 0.349414 0.354839 0.359088 0.362136 0.364013 0.364647 0.364328 0.363254 0.36121 0.35791 0.352992 0.345927 0.335987 0.322158 0.302968 0.276235 0.238607 0.184767 0.105745 -0.0142959 -0.205887 -0.534205 -1.15993 -2.58494 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.407436377286529e-21 1.4101205049114624e-20 1.822652145588288e-20 2.2007498063308802e-20 2.5541579253469443e-20 2.885215680502848e-20 3.197527969195392e-20 3.4910947914245766e-20 3.7668614313966725e-20 4.025372629162753e-20 4.267189146540096e-20 4.4927916365149445e-20 4.7015872937376e-20 4.8934479440784e-20 5.0689984364194564e-20 5.2279023136704e-20 5.369278378689792e-20 5.492822217919681e-20 5.598229417802112e-20 5.685147499480512e-20 5.753223984098304e-20 5.802058327500288e-20 5.832131182672704e-20 5.842288982448576e-20 5.837178039028224e-20 5.819970662120833e-20 5.78722217199168e-20 5.73435034350528e-20 5.655555297294335e-20 5.542361519034817e-20 5.383105162927296e-20 5.1615401580368644e-20 4.8540824645053444e-20 4.42577258846688e-20 3.8229055695922564e-20 2.960293676953536e-20 1.6942216676649602e-20 -2.2904556753294723e-21 -3.298673379266496e-20 -8.558907617144641e-20 -1.858412727764544e-19 -4.141530434170752e-19 ] } }