{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.35098 4.992445 4.770239 4.608794 4.481918 4.377387 4.288496 4.211168 4.142739 4.08137 4.025739 3.974865 3.927998 3.884552 3.844062 3.806151 3.77051 3.736883 3.705053 3.67484 3.646085 3.618656 3.592435 3.56732 3.550222 3.532228 3.513237 3.493133 3.471778 3.449005 3.424611 3.39835 3.369912 3.338901 3.304806 3.266945 3.224382 3.175782 3.119143 3.051268 2.96657 2.85386 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.35098e-10 4.992445e-10 4.770239000000001e-10 4.608794e-10 4.4819180000000004e-10 4.377387e-10 4.2884960000000005e-10 4.211168e-10 4.142739e-10 4.0813699999999997e-10 4.025739e-10 3.974865e-10 3.927998e-10 3.884552e-10 3.844062e-10 3.806151e-10 3.77051e-10 3.7368830000000006e-10 3.705053e-10 3.6748400000000004e-10 3.646085e-10 3.618656e-10 3.592435e-10 3.5673200000000004e-10 3.550222e-10 3.532228e-10 3.513237e-10 3.4931329999999997e-10 3.471778e-10 3.449005e-10 3.424611e-10 3.3983500000000005e-10 3.369912e-10 3.338901e-10 3.304806e-10 3.266945e-10 3.224382e-10 3.175782e-10 3.1191430000000004e-10 3.0512679999999997e-10 2.96657e-10 2.85386e-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 1.9416 2.3191 2.60393 2.84288 3.04755 3.22503 3.38005 3.51599 3.63535 3.74005 3.83162 3.9113 3.98011 4.03891 4.08843 4.12931 4.16208 4.18722 4.20517 4.2163 4.22095 4.22096 4.22547 4.22216 4.21202 4.19551 4.17288 4.14321 4.10476 4.05521 3.99149 3.90936 3.80289 3.66359 3.4788 3.22899 2.88245 2.38431 1.6314 0.405427 -1.84576 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.1107861525744e-19 3.7156078319094e-19 4.17195580257162e-19 4.55479590926592e-19 4.8827134009467e-19 5.16706770994902e-19 5.4154371317517e-19 5.63323702337766e-19 5.8244728264119e-19 5.9922207199917e-19 6.138932034367079e-19 6.2665934685642e-19 6.376839242749739e-19 6.471047228828939e-19 6.550387015744619e-19 6.61588399654254e-19 6.668387324838719e-19 6.70866604541748e-19 6.737425115997779e-19 6.7552573419342e-19 6.7627074632823e-19 6.762723485048639e-19 6.769949301667979e-19 6.764646097009439e-19 6.74840002594068e-19 6.721948089713339e-19 6.68569083248592e-19 6.638154251755139e-19 6.576550560177839e-19 6.497162707963139e-19 6.39507201284466e-19 6.263485245894239e-19 6.09290149967226e-19 5.86971829455606e-19 5.5736520743592e-19 5.17341232941966e-19 4.618194038673299e-19 3.82008577021254e-19 2.6137909607076e-19 6.49565666192718e-20 -2.95723354397184e-19 ] } }