{ "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" [ 4.96753 4.634688 4.428406 4.27853 4.160747 4.063706 3.981185 3.909399 3.845874 3.788902 3.737258 3.69003 3.646521 3.606189 3.5686 3.533406 3.500319 3.469102 3.439553 3.411505 3.384811 3.359347 3.335005 3.31169 3.288119 3.26383 3.238776 3.212908 3.186172 3.158506 3.129845 3.100113 3.069228 3.037097 3.003614 2.968662 2.932104 2.893787 2.853533 2.811135 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.96753e-10 4.634688e-10 4.428406e-10 4.27853e-10 4.160747e-10 4.063706e-10 3.981185e-10 3.909399e-10 3.845874e-10 3.7889020000000003e-10 3.737258e-10 3.6900300000000004e-10 3.646521e-10 3.606189e-10 3.5686e-10 3.533406e-10 3.500319e-10 3.469102e-10 3.439553e-10 3.411505e-10 3.384811e-10 3.359347e-10 3.3350050000000004e-10 3.31169e-10 3.288119e-10 3.26383e-10 3.2387760000000003e-10 3.2129080000000003e-10 3.186172e-10 3.1585060000000004e-10 3.1298450000000003e-10 3.100113e-10 3.0692279999999997e-10 3.0370970000000004e-10 3.0036139999999997e-10 2.968662e-10 2.932104e-10 2.8937870000000004e-10 2.853533e-10 2.811135e-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" [ 1.12106 1.89051 2.37769 2.75241 3.0842 3.37145 3.59757 3.76177 3.87072 3.93888 3.97796 3.99661 4.00006 3.99071 3.97007 3.94239 3.91308 3.8874 3.86927 3.86119 3.86238 3.86901 3.87593 3.87899 3.87452 3.85757 3.82161 3.75968 3.66437 3.52681 3.33643 3.08054 2.74575 2.32007 1.79059 1.14515 0.368248 -0.564725 -1.68771 -3.22277 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7961361373120397e-19 3.02893094834334e-19 3.8094793608954595e-19 4.409846989187939e-19 4.941433174582799e-19 5.401658412699299e-19 5.763942593179379e-19 6.02701999648218e-19 6.201577140756479e-19 6.31078150012992e-19 6.37339456298664e-19 6.40327515721074e-19 6.40880266659804e-19 6.39382231507014e-19 6.36075338934438e-19 6.31640514011526e-19 6.269445342972719e-19 6.2283014470116e-19 6.19925398463718e-19 6.18630839743446e-19 6.188214987628919e-19 6.198837418712339e-19 6.209924481019619e-19 6.214827141519659e-19 6.20766541196568e-19 6.180508518019379e-19 6.12289424626074e-19 6.02367144731712e-19 5.870967992330579e-19 5.650572574557539e-19 5.34555018697662e-19 4.93556920810236e-19 4.3991764928055e-19 3.7171619432443796e-19 2.8688414590740594e-19 1.8347325724250998e-19 5.89998341117232e-20 -9.0478919963565e-20 -2.70400952696814e-19 -5.16344679075618e-19 ] } }