{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 5.06868 4.72906 4.518577 4.365649 4.245467 4.146451 4.062249 3.989001 3.924182 3.86605 3.813354 3.765164 3.72077 3.679616 3.641262 3.605351 3.57159 3.539737 3.509587 3.480967 3.45373 3.427748 3.40291 3.37912 3.362924 3.345879 3.32789 3.308847 3.288619 3.267047 3.24394 3.219065 3.192126 3.162751 3.130455 3.094592 3.054275 3.008238 2.954587 2.890294 2.810064 2.7033 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.06868e-10 4.729059999999999e-10 4.5185769999999997e-10 4.3656490000000005e-10 4.245467e-10 4.146451e-10 4.062249000000001e-10 3.989001e-10 3.924182e-10 3.8660500000000003e-10 3.813354e-10 3.765164e-10 3.72077e-10 3.6796160000000003e-10 3.6412620000000004e-10 3.605351e-10 3.5715900000000003e-10 3.539737e-10 3.509587e-10 3.4809670000000005e-10 3.4537300000000004e-10 3.427748e-10 3.40291e-10 3.37912e-10 3.362924e-10 3.3458790000000003e-10 3.3278900000000004e-10 3.308847e-10 3.2886190000000003e-10 3.267047e-10 3.24394e-10 3.219065e-10 3.1921260000000003e-10 3.162751e-10 3.1304550000000003e-10 3.094592e-10 3.0542750000000003e-10 3.008238e-10 2.9545870000000003e-10 2.890294e-10 2.8100640000000004e-10 2.7033000000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.316265 0.544566 0.751995 0.942072 1.11695 1.27811 1.42668 1.56353 1.68937 1.8048 1.9103 2.00632 2.09324 2.17139 2.24108 2.30257 2.35612 2.40193 2.44024 2.47121 2.49503 2.51186 2.52185 2.52515 2.52353 2.51813 2.50802 2.49199 2.46844 2.43528 2.38971 2.32789 2.24449 2.13188 1.97889 1.76857 1.47411 1.05093 0.419803 -0.572871 -2.26384 -5.54255 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.0671239315201e-20 8.72490920870844e-20 1.20482881788483e-19 1.509365745945648e-19 1.7895511913463002e-19 2.04775797768174e-19 2.2857933601951197e-19 2.50505123255802e-19 2.70666914018058e-19 2.8916083890432e-19 3.0606380239302e-19 3.21447902432688e-19 3.35374021735416e-19 3.47895032130126e-19 3.59060601092472e-19 3.6891238521493795e-19 3.7749204109000803e-19 3.84831612250362e-19 3.90969550935216e-19 3.9593149197071397e-19 3.9974787671290197e-19 4.0244433998792397e-19 4.0404491444529e-19 4.0457363273450998e-19 4.04314080119802e-19 4.03448904737442e-19 4.01829104160468e-19 3.9926081501616597e-19 3.95487689043096e-19 3.9017487132475197e-19 3.8287375240361397e-19 3.7296909645222596e-19 3.5960694332466594e-19 3.41564832249192e-19 3.1705313192562597e-19 2.83356152959338e-19 2.3617845979457397e-19 1.6837754899696196e-19 6.725985574831019e-20 -9.178405304962139e-20 -3.6270715511145596e-19 -8.8801441027767e-19 ] } }