{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.81004 5.420746 5.179477 5.004182 4.866422 4.752923 4.656406 4.572444 4.498144 4.43151 4.371107 4.315868 4.26498 4.217807 4.173844 4.13268 4.093982 4.057469 4.02291 3.990104 3.958883 3.9291 3.90063 3.87336 3.854796 3.835257 3.814637 3.792809 3.769621 3.744894 3.718408 3.689894 3.659015 3.625344 3.588324 3.547215 3.501001 3.448231 3.386732 3.313035 3.22107 3.09869 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.81004e-10 5.420746000000001e-10 5.179477e-10 5.004182000000001e-10 4.866422000000001e-10 4.752923e-10 4.656406e-10 4.572444e-10 4.4981440000000003e-10 4.43151e-10 4.3711070000000007e-10 4.315868e-10 4.2649800000000006e-10 4.217807e-10 4.173844e-10 4.13268e-10 4.0939819999999995e-10 4.057469e-10 4.022910000000001e-10 3.990104e-10 3.9588830000000004e-10 3.9291000000000004e-10 3.90063e-10 3.87336e-10 3.854796e-10 3.835257e-10 3.814637e-10 3.7928090000000004e-10 3.769621e-10 3.7448940000000003e-10 3.7184080000000003e-10 3.689894e-10 3.659015e-10 3.6253440000000005e-10 3.5883240000000003e-10 3.547215e-10 3.501001e-10 3.448231e-10 3.386732e-10 3.313035e-10 3.22107e-10 3.0986900000000003e-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" [ 0.8168 1.03705 1.27576 1.53521 1.7877 2.01152 2.21092 2.39058 2.55239 2.69883 2.83178 2.95139 3.05785 3.15172 3.23386 3.3051 3.36612 3.41745 3.4596 3.49361 3.52011 3.53918 3.55071 3.55457 3.55264 3.54624 3.53424 3.51524 3.48753 3.44894 3.39666 3.32693 3.23462 3.11252 2.94952 2.72796 2.42278 1.99295 1.34613 0.285552 -1.61834 -5.49973 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3086578746511998e-19 1.6615372782896999e-19 2.04399286259184e-19 2.45967759028314e-19 2.8642111686018e-19 3.2228103428236796e-19 3.5422843636432802e-19 3.8301314177077195e-19 4.0893796188552596e-19 4.3240023651382196e-19 4.53701174862852e-19 4.728648095821259e-19 4.8992158202769e-19 5.04961214091048e-19 5.18121492962724e-19 5.295353993033399e-19 5.39311881124008e-19 5.4753585378633e-19 5.5428902829864e-19 5.597380310308739e-19 5.63983799110974e-19 5.67039149952012e-19 5.68886459611014e-19 5.69504899791738e-19 5.691956797013759e-19 5.68170286655616e-19 5.66247674694816e-19 5.63203539090216e-19 5.58763907637402e-19 5.52581108006796e-19 5.442049285642439e-19 5.33032950895362e-19 5.182432583869079e-19 4.98680681685768e-19 4.72565202551568e-19 4.37067377048664e-19 3.8817215053225195e-19 3.1930579227302997e-19 2.15673803232642e-19 4.575047421919679e-20 -2.5928665338675597e-19 -8.811538899308818e-19 ] } }