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=14.312198911630777 stress="-2.1276517915067217 0.16044413541264746 0.7423044724000036 0.16044413541264746 -1.7456792926224112 0.4371400991272078 0.7423044724000036 0.4371400991272078 -2.6392864988496747" pbc="F F T" Cu 0.29874826 0.05835534 -0.25354363 -21.92635026 -16.93768607 13.56747714 Cu 1.48193431 1.42001865 0.20070203 19.91485767 16.81251653 -11.65773468 Cu 1.20342959 0.28187239 1.51001192 31.11472477 -21.96518010 -6.01351567 Cu 0.10170120 1.37793365 1.21904386 -29.10323218 22.09034965 4.10377321