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=-105.63738619594233 stress="0.00018461555972391393 -6.043071093004103e-06 6.628508729733954e-05 -6.043071093004103e-06 0.00018760012288626167 8.361686299301447e-05 6.628508729733954e-05 8.361686299301447e-05 0.0001519740475036401" free_energy=-105.63738619594233 pbc="F F F" Mo 20.96970286 21.29489863 20.93381024 1.38162769 1.33884684 0.54570204 Ni 22.23677887 22.51683428 22.77093457 -0.89408306 0.23373868 -1.96958621 Mo 23.78902040 20.73155877 20.92113482 -0.57547055 1.53426070 1.08991449 Mo 25.29375489 22.38477302 22.56194135 2.32418300 2.55978188 -3.13038253 Mo 20.87455773 23.90855725 20.75979631 1.18184015 -0.90442392 1.15806147 Mo 22.65053708 25.55114214 22.47242022 -0.02917821 -1.84220606 0.55942512 Mo 23.89848877 23.70002808 20.87728820 -0.45368103 0.03017840 1.52106866 Ni 25.78055862 25.22950407 22.32726841 -1.85321727 -1.38747390 0.16986375 Ni 21.23232047 21.14379487 24.09786377 0.38169211 0.41700908 0.22504572 Ni 22.73672153 22.67101648 25.60895215 -0.72440199 -0.30808953 -0.80843476 Mo 24.01283747 21.25912702 23.74222034 -3.48942320 -3.66467173 1.70780878 Ni 25.15865966 22.40226068 25.24263982 0.88960021 0.98732947 1.24443348 Mo 20.84268038 24.19673490 23.84323236 1.96065468 0.38749197 0.27530360 Ni 22.67171396 25.65809073 25.31702931 0.33072256 -1.19400034 -1.33342908 Ni 23.79861865 23.73253452 24.02826565 0.67868122 2.67769719 -0.38868353 Ni 25.23116772 25.56799256 25.76554664 -1.10954631 -0.86546871 -0.86611099