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=-308.4284374559638 stress="-0.0005183746508189215 6.753515303581641e-05 7.156179618456006e-06 6.753515303581641e-05 -0.000558840781970708 -0.0002536722209966828 7.156179618456006e-06 -0.0002536722209966828 -0.0004740091956062667" free_energy=-308.4284374559638 pbc="F F F" Mo 20.91870436 21.11115480 21.11044915 0.16084056 1.39178619 1.40929565 Mo 22.70960170 22.31143450 22.33833517 -6.26936131 0.36866338 -0.51644946 Mo 23.78829595 20.83509776 21.14041416 1.72250038 -5.24972227 -3.70603437 Mo 25.27812781 22.45624327 22.10681310 2.94124018 -0.10474755 0.90185552 Mo 20.87679405 23.95894820 21.19710819 -1.22596259 -2.26213444 -0.37711440 Mo 22.56504129 25.20865944 22.36550211 -11.39986842 10.83855719 5.54245996 Mo 23.78802619 24.22277084 21.18584377 10.93560159 -3.91261817 -10.21643991 Mo 25.52489630 25.69581920 22.48825709 -0.92415769 -1.20326253 0.47540486 Mo 21.08627542 21.09612628 23.85402479 -0.00149537 0.37151494 0.42975983 Mo 22.45392887 22.49207130 25.58681557 0.29595202 -3.07970632 -0.22605725 Mo 24.16981235 20.95774659 23.91852158 -3.98415588 -6.71516421 -3.64801438 Mo 25.18381849 22.38825682 25.05546337 4.29538575 5.98537873 5.23663115 Mo 21.19178619 24.17895518 24.47506588 -2.65820279 -0.13757320 -1.39691640 Mo 22.61455359 25.61596912 25.64904689 0.79874047 2.00392107 2.43464759 Mo 23.78091226 24.10609294 23.96603997 3.94496311 0.63332105 3.15141623 Mo 25.10183428 25.26967052 25.51361598 1.36797999 1.07178615 0.50555536