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=-65.40713807091109 stress="0.0003201107754369027 8.945747303309242e-06 4.6990207060735944e-05 8.945747303309242e-06 0.0003012207808507066 3.87963864995004e-05 4.6990207060735944e-05 3.87963864995004e-05 0.0003023050262128962" free_energy=-65.40713807091109 pbc="F F F" Ni 20.78220450 21.28278197 21.06210000 0.76632666 1.07044585 1.02947697 Ni 22.63362859 22.32702941 22.57034430 -0.64715561 1.40297149 -0.77844417 Ni 24.04852473 21.05473499 20.91561068 -0.29019849 1.26587322 1.13417345 Ni 25.63661615 22.40480033 22.37719504 -2.04120889 0.60133131 0.55813314 Ni 20.79869006 24.11041876 20.76735611 1.25188401 -0.79313259 1.26263844 Ni 22.33533445 25.24148635 22.58611608 1.17605526 -0.73820540 -0.83583540 Ni 24.03369179 24.02598936 20.72329650 -0.41761272 -0.72328985 1.80010410 Ni 25.46375436 25.40583543 22.25559716 -1.13222988 -1.34478959 0.48618995 Ni 20.70178472 21.29874826 23.77290972 1.28051487 0.96315994 -0.39217398 Ni 22.59037311 22.36136659 25.55835534 -0.27475843 0.23559533 -1.45639269 Ni 23.74645637 20.98193431 23.92001865 0.88128284 0.84579294 0.22494108 Ni 25.70070203 22.20342959 25.40085166 -1.51852437 0.77183553 -1.30195782 Ni 20.99793547 24.28187239 24.01001192 0.69032222 -1.66187988 0.36982011 Ni 22.48453339 25.60170120 25.37793365 0.25542010 -0.48389136 -0.63626358 Ni 23.71904386 24.00082602 24.24624097 1.07812195 -0.46042146 -0.59999788 Ni 25.64302402 25.35498893 25.61042859 -1.05823953 -0.95139548 -0.86441172