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=-31.05897998381957 stress="0.00017186111239761456 7.301608595605043e-05 7.099111314560527e-05 7.301608595605043e-05 0.00017193610527413484 -3.6616617326108536e-05 7.099111314560527e-05 -3.6616617326108536e-05 0.00015156067696343658" free_energy=-31.05897998381957 pbc="F F F" Cu 20.85540510 21.11115480 21.11044915 0.97472848 0.85212817 0.86240034 Cu 22.70960170 22.31143450 22.33833517 -1.50996830 2.60227941 1.69684071 Cu 23.64028300 20.89839703 21.13492844 0.73769665 -1.12623446 -0.75623378 Cu 25.27812781 22.51878885 22.32834452 -0.82228793 0.40560536 0.78527842 Cu 20.87679405 23.95894820 21.20259391 0.81280019 -0.99535333 0.66786817 Cu 22.56504129 25.20865944 22.36550211 -2.98094793 2.33808293 2.77288588 Cu 23.78802619 24.22277084 21.18584377 2.85096425 -2.50912136 -2.17336326 Cu 25.68362810 25.69581920 22.64685009 -1.25038480 -1.17337101 0.65551411 Cu 21.26959405 21.17626233 23.85402479 0.80295418 0.77875307 -0.32027967 Cu 22.70996341 22.49207130 25.65300231 0.45978353 0.48630045 -1.33447473 Cu 24.03848316 20.95774659 23.91852158 -0.62913234 0.77459415 -0.28163750 Cu 25.45789336 22.38825682 25.27041603 -1.10082187 0.93536645 -0.78374243 Cu 21.19178619 24.17895518 24.29140871 0.87290566 -0.91220965 -0.70749388 Cu 22.61455359 25.53253581 25.64904689 0.80998395 -0.67803818 -0.51865604 Cu 23.78091226 24.10609294 23.96603997 0.85522217 -1.03379115 0.35634413 Cu 25.30598025 25.32157598 25.51361598 -0.88349591 -0.74499085 -0.92125045