16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-27.402346048140462 stress="-0.0008331192546260578 -3.723297065938525e-05 0.00023994139449297762 -3.723297065938525e-05 -0.0005992563822925968 -0.0001043532943756399 0.00023994139449297762 -0.0001043532943756399 -0.0007651408060057184" free_energy=-27.402346048140462 pbc="F F F" Au 20.91870436 21.04860922 21.20118821 -0.42844523 -0.28401813 -1.14015251 Au 22.70960170 22.31143450 22.33833517 6.64967244 6.84659564 -6.77479010 Au 24.06049558 20.83509776 21.14041416 0.40197672 -2.38209486 -1.79995891 Au 25.27812781 22.45260211 22.45967371 2.80331213 2.67328373 -0.22114157 Au 21.13658074 23.95894820 21.38625107 -5.94626380 -3.84508969 -3.20048538 Au 22.56504129 25.20865944 22.36550211 -12.56686931 19.92001065 13.28062181 Au 23.78802619 24.22277084 21.18584377 15.83553610 -10.52333633 -15.70567193 Au 25.47948213 25.64391375 22.86779500 -0.08845185 -0.45057413 0.24349613 Au 21.50130950 21.35816560 23.67585976 -9.21024127 -7.09530457 9.58200098 Au 22.92215594 22.41692504 25.43520681 -2.91556948 0.65047561 3.10093575 Au 24.32126513 21.01984659 24.05215016 -1.67982270 -5.58673801 -1.90738238 Au 25.28492278 22.38825682 25.34076033 3.99039738 2.96949485 2.26961527 Au 21.24031092 24.17895518 24.34614370 -1.61545208 -1.68338853 -0.79685981 Au 22.53016427 25.66915196 25.55384723 0.97670957 0.72298438 0.73110837 Au 23.78091226 24.10609294 23.96603997 3.17294288 -2.21815223 1.67403935 Au 25.18317529 25.12026604 25.62403475 0.62056851 0.28585163 0.66462494