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=68.10619239498696 stress="-6.707325722472689 -1.237617349494598 -0.31168476510333243 -1.237617349494598 -7.119362124335131 1.2095519361345033 -0.31168476510333243 1.2095519361345033 -5.340800228887916" free_energy=68.10619239498696 pbc="T T F" Au -0.13449789 -0.21197381 0.22277084 38.81902798 50.00098079 -53.08538584 Au 1.68584377 1.68362810 0.19581920 -48.52113451 -26.24890359 -53.32718797 Au 1.64685009 0.42259636 1.67626233 -28.27022824 -17.46466056 41.77639317 Au -0.14597521 1.70996341 1.49207130 37.97233477 -6.28741664 64.63618064