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=-33.402256265103624 stress="-0.00029125957746547305 0.00023407113927020117 0.00015320932744847634 0.00023407113927020117 -0.0004222677434092904 -2.042945821088225e-05 0.00015320932744847634 -2.042945821088225e-05 -0.00031105372184382705" free_energy=-33.402256265103624 pbc="F F F" Ti 20.85687199 20.97664413 21.24122900 1.81337301 2.37872236 3.04831156 N 22.52201293 22.56484090 22.42534241 -1.92984222 0.15990583 1.90153448 N 23.98566276 21.07354997 21.23395496 2.23790345 -1.71864478 -1.15955372 Al 25.22051529 22.69273990 22.30722932 7.52736570 -7.69214999 3.90833018 N 20.76172667 24.25209918 20.99317787 -1.23358326 -0.59009966 -0.52211162 N 22.73110688 25.63066278 22.51283276 1.64427691 1.08697480 1.90903151 Al 24.20071341 23.82858036 21.14720807 -7.95203396 6.38061724 -6.94568763 Al 25.58942344 25.45706424 22.77559981 1.34329831 2.45463121 -1.42590698 N 20.81352865 21.21736445 23.84047358 -0.27962454 0.94285087 0.42100891 Ti 22.70384132 22.29224623 25.23214964 -6.35560127 1.99432525 4.90411541 Al 24.00041025 21.25551247 23.85444624 2.71950549 -7.77923042 -6.48858020 Ti 25.34620751 22.56482696 25.34620060 1.21252006 1.49524484 2.27575966 Ti 20.79833094 23.70575425 23.96963223 1.05779140 -1.29797884 -2.23228875 Ti 22.65586213 25.40395547 25.33226600 -4.57266048 4.89365700 4.06227655 Al 23.73049600 24.12036030 23.95631248 2.74008490 -2.30507340 -5.14662338 Al 25.48231414 25.57298981 25.26023492 0.02722650 -0.40375231 1.49038400