{ "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" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 4.17564 3.895857 3.722458 3.596475 3.497467 3.415896 3.34653 3.286187 3.232789 3.184899 3.141488 3.101788 3.065215 3.031312 2.999716 2.970132 2.942319 2.916078 2.89124 2.867663 2.845225 2.82382 2.803358 2.78376 2.770418 2.756376 2.741556 2.725868 2.709204 2.691432 2.672397 2.651904 2.629712 2.605512 2.578906 2.549362 2.516148 2.478222 2.434024 2.381058 2.314964 2.22701 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.17564e-10 3.895857e-10 3.7224580000000004e-10 3.596475e-10 3.497467e-10 3.4158960000000003e-10 3.34653e-10 3.286187e-10 3.232789e-10 3.184899e-10 3.141488e-10 3.101788e-10 3.065215e-10 3.031312e-10 2.999716e-10 2.9701320000000003e-10 2.942319e-10 2.916078e-10 2.89124e-10 2.867663e-10 2.8452250000000004e-10 2.8238200000000003e-10 2.803358e-10 2.78376e-10 2.770418e-10 2.756376e-10 2.741556e-10 2.7258680000000005e-10 2.709204e-10 2.691432e-10 2.672397e-10 2.651904e-10 2.629712e-10 2.605512e-10 2.578906e-10 2.549362e-10 2.516148e-10 2.478222e-10 2.434024e-10 2.381058e-10 2.314964e-10 2.22701e-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" [ -1.76912 -0.984861 -0.261463 0.388787 0.972018 1.49575 1.96663 2.39022 2.77111 3.11319 3.41971 3.69348 3.93689 4.15205 4.3408 4.50478 4.64545 4.76411 4.86194 4.94 4.99927 5.04064 5.06491 5.07285 5.06899 5.05629 5.03268 4.99556 4.9416 4.86641 4.76426 4.6274 4.44525 4.20295 3.87919 3.4423 2.84335 2.00316 0.785254 -1.06584 -4.08662 -9.6222 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.83444272674208e-19 -1.5779212819378738e-19 -4.18909909255542e-20 6.22905447002958e-20 1.557344527427412e-19 2.3964557003055e-19 3.1508886337234197e-19 3.8295546341194796e-19 4.43980769224374e-19 4.987880275202459e-19 5.47897945705614e-19 5.91760735414632e-19 6.307593168628259e-19 6.6523174931997e-19 6.954728332867199e-19 7.21745325731052e-19 7.4428314444153e-19 7.632945723805739e-19 7.789686663909959e-19 7.91475257196e-19 8.00971358105718e-19 8.075995628405759e-19 8.11488045531294e-19 8.1276017377869e-19 8.12141733597966e-19 8.101069692727859e-19 8.06324230239912e-19 8.00376950574504e-19 7.917316054574399e-19 7.796848393463939e-19 7.63318605030084e-19 7.413912156171599e-19 7.1220756822884995e-19 6.7338682838703e-19 6.21514757684646e-19 5.5151726272182e-19 4.5555489322839e-19 3.2094161461634395e-19 1.258115610555036e-19 -1.7076639435825597e-19 -6.547487076037079e-19 -1.5416464007674798e-18 ] } }