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=1.5373376548333666 stress="-4.8452355357646876e-05 -1.4969291739207098e-05 -2.890986629455185e-05 -1.4969291739207098e-05 -6.199664909144141e-05 -4.49242308250674e-06 -2.890986629455185e-05 -4.49242308250674e-06 -4.8913684723783116e-05" free_energy=1.5373376548333666 pbc="F F F" O 20.89917148 21.26235339 20.84838096 -0.10196848 -0.31454529 -0.14645399 O 22.71005355 22.86797944 22.44968690 -0.44297472 0.86548074 0.63298148 O 24.19990219 21.15710459 20.99042854 -0.00276294 -0.35593985 -0.31833650 O 25.35687199 22.47664413 22.74122900 0.37508596 0.37703386 -0.04027577 O 21.02201293 23.81634348 20.92534241 -0.48176016 0.25397291 -0.41751370 O 22.48566276 25.31443107 22.54376171 -0.37368939 0.64984756 0.11870228 O 23.72051529 24.02500590 20.80722932 -0.08864912 -0.38509396 -0.06051445 O 25.26172667 25.55332204 22.38436473 0.30248256 0.25810083 -0.02974711 O 21.23110688 20.99816022 23.74332875 -0.25070265 -0.32805717 0.04380232 O 22.70071341 22.32858036 25.64720807 -0.28713871 0.02695127 0.43576309 O 24.08942344 20.95706424 24.27559981 0.10876270 -0.37848766 0.14866391 O 25.21321713 22.71736445 25.28604778 0.09577076 -0.10053541 0.06304719 O 21.20384132 23.79224623 23.73214964 0.69428643 -0.41324934 -0.76931370 O 22.50041025 25.75551247 25.35444624 -0.07656768 0.18918728 0.23945818 O 24.11224912 24.06482696 23.80251308 0.27332214 -0.74736451 -0.16628657 O 25.51821382 25.20575425 25.46963223 0.25650328 0.40269875 0.26602334