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=-45.386397462973974 stress="3.3699093124316496e-05 5.470669694368148e-05 6.527126992064313e-05 5.470669694368148e-05 2.628597250468134e-05 -3.7492946667740305e-05 6.527126992064313e-05 -3.7492946667740305e-05 -3.920380682967026e-07" free_energy=-45.386397462973974 pbc="F F F" Cu 20.85540510 21.11115480 21.11044915 0.40937098 0.49653032 0.47002416 Cu 22.70960170 22.31143450 22.33833517 -0.88659408 1.42634788 -0.15240309 Cu 23.78829595 20.83509776 21.14041416 0.38129566 -1.02430629 -0.68157813 Cu 25.27812781 22.51878885 22.18033157 -0.03485685 0.58374393 0.34826434 Cu 20.94009332 23.95894820 21.14004833 0.13643508 -0.64843967 0.02014824 Cu 22.56504129 25.20865944 22.36550211 -2.73823043 3.14256890 2.92306288 Cu 23.78802619 24.22277084 21.18584377 3.40796462 -2.31589943 -2.91889452 Cu 25.68362810 25.69581920 22.64685009 -1.19632760 -1.17189149 0.42742707 Cu 21.26959405 21.17626233 23.63249336 -0.03027490 0.05237953 0.35281933 Cu 22.70447769 22.33333949 25.65300231 0.20777160 -0.04753290 -0.81422006 Cu 23.87989016 20.87761053 23.66248704 0.08931407 0.04364776 0.63372928 Cu 25.45789336 22.38825682 25.36115509 -0.69456156 0.52397746 -0.46000606 Cu 21.19178619 24.45115481 24.22522197 -0.57524220 -1.10228061 -0.59913635 Cu 22.61455359 25.66386501 25.37497202 1.43097940 0.36038730 0.64431798 Cu 23.78091226 23.89114028 23.96603997 1.01490577 0.30369679 0.72645450 Cu 25.30598025 25.32157598 25.51361598 -0.92194955 -0.62292945 -0.92000956