4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.2603260895165749 stress="-1.401859357779193 0.7572014244763449 0.14589187139728807 0.7572014244763449 -1.786027721763212 0.20729264703957243 0.14589187139728807 0.20729264703957243 -1.5020834360057749" free_energy=-0.2603260895165749 pbc="T T T" Cu 2.85540510 0.11115480 0.11044915 11.99037594 -13.54556096 -3.79829463 Cu 1.70960170 1.31143450 2.71512922 -20.19517251 11.77142667 9.04620654 Cu 1.49088986 2.83509776 1.64041416 -7.90774671 3.55641310 -5.43312915 Cu 2.77812781 1.58383014 1.32834452 16.11254328 -1.78227881 0.18521723