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=-6.3050825911787465 stress="-38.118263358009244 -5.3592503527763 4.774175711037099 -5.3592503527763 -28.966993362231232 -0.4863580625672519 4.774175711037099 -0.4863580625672519 -33.37529649163984" pbc="F F F" Zr -0.04293576 0.27559981 -0.28678287 -12.30366727 -8.32464240 -10.93378636 Zr 1.71736445 1.28604778 0.20384132 20.72321680 11.03336894 -10.76389467 Cu 1.29224623 -0.26785036 1.50041025 4.00486642 -12.78474482 7.42512317 Cu 0.25551247 1.35444624 1.49188881 -12.42441595 10.07601828 14.27255787