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=-63.747738256332795 stress="-0.00011478593515885849 -6.430358717981017e-05 3.666708119574503e-05 -6.430358717981017e-05 -0.00011814454440003361 2.981562151390115e-05 3.666708119574503e-05 2.981562151390115e-05 -0.00014752975637903002" pbc="F F F" Ni 21.09200417 20.88382773 20.96970286 0.77964351 0.80831989 1.04931590 Ni 22.79489863 22.43381024 22.23677887 -2.19672411 0.72253600 -0.12204887 Zr 24.01683428 21.27093457 20.78902040 -0.62486105 -0.56156629 -1.62387937 Ni 25.23155877 22.42113482 22.36174745 2.10404956 1.84793184 -0.73585824 Ni 20.88477302 24.06194135 20.87455773 0.47510708 -0.85113399 0.44331147 Zr 22.40855725 25.25979631 22.49454085 2.16767165 3.57191337 -3.44198648 Ni 24.31668878 24.20596763 20.88300762 -0.72710563 -0.81013799 0.03670685 Ni 25.34855516 25.16669109 22.78055862 0.71768027 0.67710964 -0.73859026 Zr 20.72950407 20.79998375 24.23232047 1.50404944 0.70612308 -0.94703749 Ni 22.67107953 22.74140249 25.59318281 0.12254246 -1.01691609 0.31691117 Zr 24.24741067 21.10895215 23.75381041 -1.40222437 -2.47243266 2.19261177 Ni 25.68273282 22.24222034 25.61746751 -0.56148983 0.71301633 -0.39382165 Zr 21.19291102 23.72817044 23.84268038 -4.39458637 -3.32567256 1.38251624 Zr 22.69673490 25.34323236 25.67171396 -1.29018464 1.26281011 1.56880698 Zr 23.95830993 23.81702931 23.93585131 1.57595481 -1.83905135 -0.10195778 Zr 25.23253452 25.52826565 25.23116772 1.75047723 0.56715065 1.11499973