16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=235.30231885190838 pbc="F F F" Ca 0.11601664 -0.20285131 0.51825347 20 -38.85670099 -45.07999182 -28.84155016 Ca 1.24846459 1.58707358 1.64928333 20 256.70127027 -283.76141108 -110.06358800 Ca 2.74630343 -0.01875924 -0.04543160 20 11.19400955 -14.01682053 -9.85044602 Ca 4.67660147 1.57460800 1.26276843 20 21.32277748 -8.31720113 9.36200355 Ca 0.27309356 2.99050385 0.18827503 20 -103.33727432 75.05722952 -115.19237377 Ca 1.54910747 4.69770818 1.57416130 20 -37.39080072 89.40779046 -46.91915324 Ca 2.78066181 2.76071933 -0.02924540 20 29.18982818 18.90395476 -36.77255400 Ca 4.26813108 4.65155011 1.69023059 20 40.57290861 31.14696040 -25.57280263 Ca 0.17869872 -0.10032997 3.41563347 20 -62.49647040 -36.74395444 -8.05241320 Ca 1.76875897 1.32510392 4.59759015 20 -51.80168100 115.22166757 126.78925712 Ca 2.71265193 -0.21245753 3.26597582 20 79.12650274 -120.98865333 -93.52249252 Ca 4.31254092 1.59787451 4.19581499 20 43.01192878 -13.77345270 14.43467282 Ca 0.13562864 2.84476433 2.89648381 20 -237.97328583 204.32631466 223.01283289 Ca 1.36816987 4.57793576 4.34606090 20 -23.34993498 48.16768161 54.24085366 Ca 2.73265023 3.20909915 2.91871646 20 58.82631403 -83.47415269 29.40901488 Ca 4.54493473 4.17817953 4.52690603 20 15.26060861 23.92403876 17.53873863