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=-37.525475446476214 stress="0.0002999380658591092 -3.1840532185100655e-05 5.818615348780186e-05 -3.1840532185100655e-05 0.00031471882359412705 6.388888762497417e-05 5.818615348780186e-05 6.388888762497417e-05 0.0003934101476908507" pbc="F F F" Ni 20.84126820 20.84140700 20.81668137 0.94348430 1.06417844 1.29189991 Ni 22.12164867 22.24396547 22.59073906 1.47602822 1.36156537 -1.24151522 Ni 24.27219963 20.93381326 21.13132919 -1.23801449 0.84186573 0.97803963 Ni 25.75978669 22.22592512 22.28504734 -1.36976459 1.30557097 1.19108972 Ni 21.18365717 24.20288723 21.08343331 1.15646999 -0.78628150 1.62528614 Ni 22.29585403 25.44809454 23.01969318 2.20646593 1.22588750 -1.04489860 Ni 24.23171545 24.18190327 20.82183498 -0.36057826 -0.69407798 2.30476042 Ni 25.71219253 25.42485375 22.62990665 -0.98781174 -1.05544631 0.49617281 Ni 20.78220450 21.28278197 24.06210000 0.44240553 0.47619438 0.52236471 Ni 22.63362859 22.32702941 25.57034430 0.20263834 1.01720780 -1.81142480 Ni 23.82143445 21.05473499 23.91561068 0.25890483 1.49848531 -0.79895159 Ni 25.63661615 22.40480033 25.37719504 -1.73817479 0.83913065 -1.61272151 Ni 20.79869006 24.11041876 23.64825797 -0.76192644 -2.84818833 0.87401395 Ni 22.33533445 25.24148635 25.58611608 0.71530675 -1.36649828 -1.84630723 Ni 24.03369179 24.02598936 23.58466309 0.14175150 -1.56120805 0.50780523 Ni 25.46375436 25.40583543 25.25559716 -1.08718506 -1.31838569 -1.43561356