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=-37.99044506065996 stress="0.00015884817703013706 7.517383871386655e-05 7.52238983120218e-05 7.517383871386655e-05 0.00012068383496978267 -4.8126031392390104e-05 7.52238983120218e-05 -4.8126031392390104e-05 0.000115518860890571" free_energy=-37.99044506065996 pbc="F F F" Cu 20.85540510 21.11115480 21.11044915 0.89297104 0.63462531 0.68652379 Cu 22.70960170 22.31143450 22.33833517 -1.10317351 1.73145333 0.99428558 Cu 23.64028300 20.83509776 21.11608958 0.49502197 -0.85905774 -0.43955191 Cu 25.27812781 22.51878885 22.32834452 -0.90890291 0.30594203 0.59234382 Cu 20.87679405 23.95894820 21.20259391 0.88500635 -0.60533671 0.63561149 Cu 22.56504129 25.20865944 22.36550211 -3.22504915 2.55749177 3.04070382 Cu 23.78802619 24.22277084 21.18584377 3.14904290 -2.84307310 -2.44912639 Cu 25.68362810 25.69581920 22.64685009 -1.10240271 -0.98881425 0.44261510 Cu 21.26959405 21.17626233 23.91732405 0.73438520 0.57883298 -0.29538260 Cu 22.64741783 22.27053987 25.65300231 0.42341689 0.43772564 -1.18122666 Cu 24.03848316 20.95774659 23.91303586 -0.53229190 0.73120954 -0.20467942 Cu 25.45789336 22.38825682 25.27041603 -0.92286889 0.57510905 -0.65271975 Cu 21.19178619 24.17895518 24.29140871 0.91662166 -0.68207986 -0.43348764 Cu 22.61455359 25.53253581 25.64904689 0.59820837 -0.55266056 -0.38618768 Cu 23.78091226 24.10609294 23.96603997 0.42375396 -0.49867668 0.46085628 Cu 25.30598025 25.32157598 25.51361598 -0.72373925 -0.52269075 -0.81057781