{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.626 3.383044 3.232469 3.123069 3.037094 2.96626 2.906024 2.853624 2.807254 2.765668 2.727971 2.693497 2.661738 2.632297 2.60486 2.57917 2.555019 2.532232 2.510663 2.490189 2.470704 2.452117 2.434349 2.41733 2.405744 2.39355 2.380681 2.367058 2.352587 2.337155 2.320625 2.302829 2.283558 2.262544 2.23944 2.213784 2.184941 2.152008 2.113627 2.067632 2.010237 1.93386 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.626e-10 3.383044e-10 3.2324690000000004e-10 3.123069e-10 3.0370940000000005e-10 2.96626e-10 2.906024e-10 2.853624e-10 2.807254e-10 2.7656679999999997e-10 2.7279710000000004e-10 2.693497e-10 2.6617380000000005e-10 2.632297e-10 2.60486e-10 2.57917e-10 2.5550190000000003e-10 2.532232e-10 2.510663e-10 2.490189e-10 2.4707040000000003e-10 2.452117e-10 2.434349e-10 2.4173300000000003e-10 2.405744e-10 2.39355e-10 2.380681e-10 2.367058e-10 2.352587e-10 2.337155e-10 2.3206250000000002e-10 2.302829e-10 2.2835580000000003e-10 2.2625440000000003e-10 2.23944e-10 2.213784e-10 2.1849409999999998e-10 2.152008e-10 2.1136270000000002e-10 2.0676320000000003e-10 2.010237e-10 1.93386e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.395082 1.24496 1.88825 2.22604 2.36461 2.47872 2.57844 2.66587 2.7426 2.80989 2.86878 2.92009 2.96454 3.00271 3.03512 3.06219 3.08432 3.10184 3.11505 3.1242 3.12954 3.13128 3.13044 3.12769 3.1226 3.11459 3.10002 3.07635 3.04398 3.00482 2.9618 2.91753 2.87215 2.82034 2.74754 2.62509 2.40312 2.00296 1.32011 0.0357186 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 6.329911489139879e-20 1.99464582226464e-19 3.0253100291504997e-19 3.5665092743493596e-19 3.7885228905227395e-19 3.97134726622848e-19 4.13111632017096e-19 4.2711946232815796e-19 4.3941296364084e-19 4.50194010211026e-19 4.59629228408652e-19 4.678499967177059e-19 4.7497167185583595e-19 4.81087180067814e-19 4.86279834538608e-19 4.90616926686846e-19 4.94162543577888e-19 4.96969557040656e-19 4.9908603237417e-19 5.0055202399428e-19 5.01407586316836e-19 5.0168636505115195e-19 5.01551782213896e-19 5.011111836395459e-19 5.002956757328399e-19 4.99012332249006e-19 4.96677960893268e-19 4.9288560880059e-19 4.87699363036332e-19 4.81425239337588e-19 4.7453267545812e-19 4.67439839499402e-19 4.6016916193431e-19 4.51868284793556e-19 4.402044388980359e-19 4.20585786014706e-19 3.8502227126980794e-19 3.2090957108366394e-19 2.1150493963097397e-19 5.72275063191924e-21 ] } }