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=-2.2157972364362815 stress="-1.2250561706512562 0.143771707398084 -0.4224171973675028 0.143771707398084 -0.9549118383177988 -0.17272908300264517 -0.4224171973675028 -0.17272908300264517 -1.1837716371911151" pbc="T F F" Cu 0.31906573 0.03806039 0.07797747 -1.04018763 -12.41058538 -12.11971593 Cu 1.76599513 1.67918122 0.05957798 -7.88096396 6.07869170 -13.17984997 Cu 1.56603665 0.03099333 1.69045800 2.38673218 -5.03204987 6.32163665 Cu 0.07166715 1.42588762 1.21223271 6.53441941 11.36394354 18.97792924