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=-63.10686126016446 stress="-0.00011252646432375628 -0.00013987686107626974 -1.7422113102046887e-06 -0.00013987686107626974 -0.0002967484624659196 -4.044093904320372e-05 -1.7422113102046887e-06 -4.044093904320372e-05 -0.0002408314770662548" pbc="F F F" Ni 21.09200417 20.88382773 20.96970286 0.77401108 0.77511868 1.08877677 Ni 22.79489863 22.43381024 22.23677887 -2.37023147 1.07660689 0.91123830 Zr 24.01683428 21.27093457 20.78902040 -0.67621464 -0.92544744 -2.13029260 Ni 25.23155877 22.42113482 22.29375489 2.53332356 1.75172174 -0.97810131 Ni 20.88477302 24.06194135 20.87455773 0.57733717 -0.74209815 0.65037606 Zr 22.40855725 25.25979631 22.49454085 2.04855802 3.31167402 -2.70427133 Ni 24.11913469 24.31551804 21.11655504 -0.38279367 -1.14938223 -0.85339617 Ni 25.33307401 25.31521817 22.78055862 1.83284490 3.01550937 -2.09004872 Zr 20.72950407 20.79998375 24.23232047 1.62037450 0.82058400 -1.11159698 Ni 22.43319776 22.74140249 25.73672153 0.63244555 -0.71979997 -0.58033888 Zr 24.24741067 21.10895215 23.75381041 -2.30731617 -2.82527495 2.06947362 Ni 25.61558829 22.24222034 25.28204626 0.43482607 0.49350447 0.57788532 Zr 21.19291102 23.72817044 23.84268038 -3.09215181 -3.28261525 1.31204788 Zr 22.69673490 25.34323236 25.67171396 -1.20099553 0.76773435 1.11187823 Zr 24.41711779 23.81702931 23.93585131 -4.56196172 -8.59744769 -2.48392477 Zr 25.23253452 25.52826565 25.23116772 4.13794418 6.22961214 5.21029457