16 Lattice="8.003922026306554 -2.899652881499699e-17 -1.0307895894696353e-17 3.975070865966046e-16 6.76964106802591 3.0164234072655308e-06 3.9549001500887916e-16 2.92895416224039e-06 6.198936154595949" Properties=species:S:1:pos:R:3:forces:R:3 energy=543.2315311354431 stress="-3.355070177931791e-05 0.0 0.0 0.0 5.915224210339902e-05 1.41050479961386e-06 0.0 1.41050479961386e-06 7.518020970006164e-06" pbc="T T T" Zr 4.00196101 1.10236347 4.19570826 0.00000000 -0.00690648 0.00277146 Zr 0.00000000 5.66732880 1.09624098 0.00000000 0.00542599 0.00281009 Be 4.00196101 5.58079227 6.10047910 -0.00000000 0.00102878 -0.00319018 Be 0.00000000 1.18884153 3.00100733 -0.00000000 -0.00099117 -0.00302564 Cu 6.08017207 4.62858439 2.92902334 0.00156220 0.00096709 0.00174071 Cu 1.92374996 4.62858439 2.92902334 -0.00156220 0.00096709 0.00174071 Cu 5.92570166 2.14104950 6.02848710 -0.00146454 -0.00091041 0.00185743 Cu 2.07822037 2.14104950 6.02848710 0.00146454 -0.00091041 0.00185743 Se 4.00196101 0.95100877 0.61088227 0.00000000 -0.00545556 -0.00313386 Se 0.00000000 5.81863245 3.71035552 0.00000000 0.00538158 -0.00320211 Se 4.00196101 5.37386266 3.86449990 0.00000000 0.00381716 0.00205580 Se 0.00000000 1.39573892 0.76503867 0.00000000 -0.00280128 0.00178225 Se 5.80917673 4.46280581 0.57835962 0.00093886 -0.00096371 -0.00067898 Se 2.19474530 4.46280581 0.57835962 -0.00093886 -0.00096371 -0.00067898 Se 6.19668518 2.30682481 3.67783356 -0.00043316 0.00115763 -0.00088306 Se 1.80723685 2.30682481 3.67783356 0.00043316 0.00115763 -0.00088306