{ "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" [ 5.51768 5.147974 4.918846 4.752371 4.621543 4.513755 4.422094 4.342357 4.271796 4.208515 4.151151 4.098692 4.050365 4.005565 3.963814 3.924722 3.88797 3.853295 3.820475 3.78932 3.759669 3.731385 3.704347 3.67845 3.66082 3.642265 3.622682 3.601952 3.579931 3.556448 3.531295 3.504216 3.474891 3.442914 3.407756 3.368716 3.324827 3.274712 3.216308 3.146319 3.058982 2.94276 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51768e-10 5.147974e-10 4.918846000000001e-10 4.752371e-10 4.6215430000000003e-10 4.513755e-10 4.4220940000000003e-10 4.342357e-10 4.2717960000000005e-10 4.208515e-10 4.151151e-10 4.098692e-10 4.0503650000000005e-10 4.005565e-10 3.963814e-10 3.924722e-10 3.88797e-10 3.8532950000000005e-10 3.820475e-10 3.78932e-10 3.7596690000000004e-10 3.731385e-10 3.704347e-10 3.6784500000000004e-10 3.66082e-10 3.642265e-10 3.6226820000000003e-10 3.601952e-10 3.5799310000000003e-10 3.556448e-10 3.531295e-10 3.504216e-10 3.4748910000000003e-10 3.4429140000000004e-10 3.4077560000000003e-10 3.3687160000000004e-10 3.324827e-10 3.2747120000000003e-10 3.2163080000000005e-10 3.146319e-10 3.058982e-10 2.94276e-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" [ 1.0983 1.72858 2.08238 2.36261 2.61261 2.83994 3.04573 3.23035 3.39445 3.53896 3.66498 3.77367 3.86637 3.94463 4.01002 4.06405 4.1081 4.14339 4.17103 4.19198 4.20712 4.2172 4.22287 4.22466 4.22382 4.22107 4.21604 4.20823 4.19699 4.18144 4.1604 4.13224 4.09467 4.04438 3.97644 3.88327 3.75272 3.56444 3.28267 2.8397 2.09264 0.686052 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7596705971222e-19 2.7694904859997197e-19 3.33634057910892e-19 3.78531853725474e-19 4.1858626957547397e-19 4.550085509961959e-19 4.879797439472819e-19 5.1755912896419e-19 5.438508475281299e-19 5.67003902066064e-19 5.87194532007732e-19 6.04608589842678e-19 6.1946076723985795e-19 6.319994015775419e-19 6.424760345872679e-19 6.511325949407699e-19 6.5819018301354e-19 6.63844264354926e-19 6.68272680571302e-19 6.716292406195319e-19 6.740549360434079e-19 6.756699300904799e-19 6.76578364241958e-19 6.768651538594439e-19 6.767305710221879e-19 6.762899724478379e-19 6.754840776009359e-19 6.74232777649782e-19 6.72431931113166e-19 6.69940546447296e-19 6.665695668093599e-19 6.62057837408016e-19 6.560384597940779e-19 6.47981113501692e-19 6.37095925450296e-19 6.221684457513179e-19 6.01252029794448e-19 5.71086248129496e-19 5.259417171132779e-19 4.5497009875698e-19 3.3527789113737594e-19 1.099176484108968e-19 ] } }