{ "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" [ 9.14611 8.533287 8.153485 7.877538 7.660677 7.482008 7.330072 7.1979 7.080938 6.976044 6.880958 6.794002 6.713894 6.639635 6.570428 6.505629 6.44471 6.387233 6.332829 6.281187 6.232039 6.185156 6.140337 6.09741 6.068186 6.037429 6.004969 5.970607 5.934105 5.89518 5.853486 5.808599 5.75999 5.706985 5.648708 5.583995 5.511245 5.428174 5.331364 5.21535 5.07058 4.87793 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.14611e-10 8.533287e-10 8.153485e-10 7.877538000000001e-10 7.660677e-10 7.482008000000001e-10 7.330072000000001e-10 7.1979e-10 7.080938e-10 6.976044e-10 6.880958e-10 6.794002e-10 6.713894e-10 6.639635e-10 6.570428e-10 6.505629e-10 6.44471e-10 6.387233000000001e-10 6.332829e-10 6.281187e-10 6.232039000000001e-10 6.185156e-10 6.140337e-10 6.09741e-10 6.068186e-10 6.037429e-10 6.004969e-10 5.970607e-10 5.934105e-10 5.89518e-10 5.853486e-10 5.808599000000001e-10 5.759990000000001e-10 5.706985e-10 5.648708e-10 5.583995e-10 5.511245e-10 5.428174000000001e-10 5.331364e-10 5.21535e-10 5.07058e-10 4.877930000000001e-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" [ 0.896595 1.32616 1.79588 2.16445 2.39588 2.5531 2.66429 2.7486 2.81737 2.87685 2.93086 2.98217 3.03213 3.08048 3.1264 3.16909 3.20784 3.24204 3.27124 3.29515 3.31356 3.32644 3.334 3.33648 3.33527 3.3312 3.32344 3.31086 3.29202 3.26505 3.22747 3.17607 3.1066 3.01334 2.88881 2.7232 2.50138 2.19982 1.77817 1.14604 0.0478718 -1.83371 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.436503547326176e-19 2.124742547440128e-19 2.877316949762304e-19 3.46783118689056e-19 3.838622922242304e-19 4.0905171305644806e-19 4.268663149031232e-19 4.40374265993088e-19 4.513924346143296e-19 4.60922181154848e-19 4.695755370837888e-19 4.777963053251137e-19 4.858007797226305e-19 4.935473036841984e-19 5.0090449872691205e-19 5.077441907211072e-19 5.139526251267073e-19 5.194320691698432e-19 5.241104249025793e-19 5.27941229202912e-19 5.308908363618048e-19 5.329544398493952e-19 5.3416568537472e-19 5.345630251766785e-19 5.343691618055616e-19 5.33717075920896e-19 5.324737868631553e-19 5.304582486741888e-19 5.274397479206016e-19 5.23118677574304e-19 5.170976978333376e-19 5.0886251000242565e-19 4.97732189017728e-19 4.827902898521472e-19 4.628383843933248e-19 4.36304737376256e-19 4.0076525557367047e-19 3.524500173968256e-19 2.8489424018079364e-19 1.836158494501632e-19 7.669907875561345e-21 -2.937927291327168e-19 ] } }