32 Lattice="7.582404677006371 0.0 0.0 0.0 7.582404677006371 0.0 0.0 0.0 7.582404677006371" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-142.30775432770804 pbc="F F F" Zr 0.01814525 -0.01204462 0.02862856 40 0.78752586 0.88750466 0.89104423 Ni 1.94008943 1.88634431 0.00724921 28 -0.31385055 -0.29290153 0.62719694 Ni 1.87019960 -0.02204264 1.86024653 28 0.40454834 0.70483457 0.57620579 Ni -0.01562595 1.87223116 1.90712759 28 0.17640390 -0.44502001 -0.26955878 Zr 3.82782050 -0.01914290 0.01935142 40 -1.22777546 0.58003682 -0.16737522 Ni 5.69456447 1.93157684 0.05348288 28 -0.11236103 0.10698726 0.16749535 Zr 5.66477914 -0.02409428 1.92601562 40 0.45665180 0.30976874 1.12169511 Ni 3.79981479 1.90004742 1.86771270 28 0.34013955 -0.81539340 0.42945921 Zr 0.01602102 3.81482693 0.03105538 40 -1.74106609 -2.24154248 -1.58106694 Zr 1.88460394 5.65083284 0.02270273 40 1.21965614 2.51815539 -1.74658432 Zr 1.92264792 3.79586921 1.89636700 40 1.78319544 -2.09521519 -0.14309591 Zr 0.00826007 5.67397439 1.88707303 40 -2.44862432 2.53703059 0.38177572 Zr 3.82280547 3.79043784 0.00679924 40 -0.05552308 -1.67116072 -1.84503145 Zr 5.68377679 5.71707090 0.01583624 40 0.17849855 0.92468250 -0.10709251 Zr 5.72068723 3.78937782 1.90133486 40 0.52340016 -0.68470523 2.26936593 Ni 3.78326364 5.70579004 1.85972224 28 0.40000363 0.11452696 0.98978083 Ni -0.00772257 -0.00902020 3.81777654 28 0.16972091 0.71233779 -0.70019429 Zr 1.88760563 1.88563979 3.81556280 40 1.41419700 -1.21458964 -0.69732497 Zr 1.86269049 -0.00481820 5.67659614 40 0.46359795 -0.56425596 0.56131541 Ni 0.04177609 1.86838607 5.70688066 28 0.25375032 0.10940421 -0.25525176 Ni 3.81499464 -0.00980679 3.79710877 28 -0.01018942 0.48407537 -0.49146743 Ni 5.65279712 1.89007237 3.79363255 28 -1.00854668 0.09976320 0.30183865 Zr 5.69419693 0.02478632 5.68092617 40 -0.81436902 0.81584713 -0.76401840 Ni 3.76117497 1.88469319 5.66009785 28 0.53782851 0.70548262 -0.43058557 Zr -0.01631338 3.77397038 3.77632079 40 -2.85498054 -0.94036799 1.96541334 Zr 1.91207821 5.66755321 3.78655059 40 1.14205864 2.33210695 0.74997580 Ni 1.92102241 3.81460642 5.63694183 28 -0.09117034 -0.57096152 -0.05361011 Ni 0.00647551 5.71924787 5.69949399 28 0.79886044 -0.38778584 -0.54704627 Ni 3.80017560 3.79243583 3.79237875 28 0.78442529 -0.03459528 0.28141273 Ni 5.71744447 5.68996817 3.79534294 28 -0.90766129 -0.52457921 -0.31777867 Ni 5.70665315 3.78467154 5.66119243 28 -0.75897331 -0.56376899 -1.15536443 Zr 3.77372499 5.70427055 5.70046480 40 0.51062869 -0.89570179 -0.04152799