16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-34.753334226482245 stress="0.0001264456271650165 7.300349529468603e-05 -6.946400132908169e-05 7.300349529468603e-05 0.0001633742457826202 2.050386412047785e-05 -6.946400132908169e-05 2.050386412047785e-05 0.00016032460235883349" free_energy=-34.753334226482245 pbc="F F F" Cu 20.78504734 21.18365717 21.20288723 0.63058625 0.74834596 0.91153086 Cu 22.58343331 22.29585403 22.44809454 -0.34119698 0.51655201 1.17700907 Cu 24.22094491 21.23171545 21.18190327 -1.00786745 -0.96633871 -0.88460233 Cu 25.32183498 22.61304419 22.42485375 1.05100807 1.06764909 1.62287191 Cu 21.12990665 23.78220450 21.28278197 0.55958786 -0.24833896 0.60850010 Cu 22.56210000 25.63362859 22.32702941 0.59345530 -1.29060046 0.68128085 Cu 24.07034430 24.04646020 21.05473499 -0.87622996 -0.04829252 0.59066368 Cu 25.41561068 25.63661615 22.40480033 -1.02587867 -0.95087161 0.92573716 Cu 20.87719504 20.79869006 24.11041876 0.92452026 1.29980451 -0.79522097 Cu 22.26735611 22.61720683 25.25149828 2.36662804 -1.63183344 0.72675191 Cu 24.08611608 21.01822519 24.02598936 -0.88497140 0.32222860 -0.82100106 Cu 25.22329650 22.46375436 25.40583543 0.75807748 -0.13305443 0.87748982 Cu 20.75559716 23.70178472 24.29874826 -1.17529321 1.16750472 -2.11280030 Cu 22.27290972 25.38090187 25.36136659 0.73130277 -1.02664066 -1.01171011 Cu 24.05835534 23.74645637 24.08363551 -1.35150369 2.18363334 -1.38414735 Cu 25.42001865 25.70070203 25.20342959 -0.95222468 -1.00974745 -1.11235322