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=49.45607941305893 stress="-0.00018261524408478083 1.9200511477935186e-05 1.1921293760476161e-05 1.9200511477935186e-05 -5.52754124834125e-05 -0.00011969878219846039 1.1921293760476161e-05 -0.00011969878219846039 -7.073062692352943e-05" free_energy=49.45607941305893 pbc="F F F" Mo 20.91870436 21.04860922 21.20118821 0.33492303 0.02364337 0.25031600 Mo 22.70960170 22.31143450 22.33833517 -2.88702508 -0.40852914 2.23624904 Mo 24.06049558 20.83509776 21.14041416 -0.64681967 -1.25673418 -1.21563310 Mo 25.27812781 22.51878885 22.32834452 2.36981146 1.65668699 1.38419259 Mo 21.00812325 23.95894820 21.46238060 -2.54428416 -2.48818238 -0.95139319 Mo 22.56504129 25.20865944 22.36550211 -1.78390540 6.66508377 4.97853581 Mo 23.78802619 24.22277084 21.18584377 4.34612072 -2.93024531 -4.97904623 Mo 25.68362810 25.69581920 22.64685009 -1.33740080 -1.51042305 0.66551433 Mo 20.99551917 20.96130967 24.03768195 1.31937503 1.77930548 -0.83329666 Mo 22.91285063 22.57550460 25.44885634 -1.48343534 0.25807288 1.46738293 Mo 23.98657770 20.95774659 24.13946649 -0.66700387 -2.00163073 -1.91063265 Mo 25.63979664 22.38825682 25.09225101 0.77822518 1.92497721 0.14838263 Mo 21.19178619 24.17895518 24.29140871 -2.15365640 -1.92847313 -1.58309214 Mo 22.61455359 25.53253581 25.64904689 1.23752582 0.92654585 0.61751015 Mo 23.78091226 24.10609294 23.96603997 4.11729760 0.28058545 0.66210446 Mo 25.51817278 25.32157598 25.51361598 -0.99974812 -0.99068309 -0.93709396