16
Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=324.19712121630045 stress="-0.060324668699873324 0.007140212157714052 0.00533579879891623 0.007140212157714052 -0.07118102550058159 -0.008190197438839935 0.00533579879891623 -0.008190197438839935 -0.0754196664448587" free_energy=324.19712121630045 pbc="F F F"
O      10.50779751      10.29505926      10.68365717     -17.41098511     -24.19645739     -56.28554077 
O      11.45288723      11.31796670      11.04585403    -147.70897890      13.86711491      25.59850119 
O      11.94809454      10.72094491      10.73171545     108.14247888    -165.26305986    -114.09210618 
O      12.93190327      11.17353618      11.46219253      60.99434007     -10.54469786     -18.43438602 
O      10.42485375      12.00784030      10.28220450     -30.48890221      13.75528498     -30.07153734 
O      11.53278197      12.81210000      11.38362859     -82.06705480     179.70895754     -47.17535292 
O      11.82702941      12.07034430      10.54852473      42.91874913      63.32233583    -145.66198005 
O      12.80473499      12.66561068      11.10566001      66.10623821      36.45497153     -12.75381709 
O      10.40480033      10.37719504      11.79869006     -40.64015642     -31.99536313      43.26483618 
O      11.36041876      11.01735611      12.58533445    -108.17855544      81.53172782     183.79842435 
O      11.74148635      10.58611608      12.03369179      92.37568151    -160.96846741     -93.80358997 
O      12.77598936      10.97412251      12.71375436      39.31808326      -8.74949389      49.84530270 
O      10.40583543      11.75559716      11.70178472     -53.08534677      23.67183818      20.36304278 
O      11.54874826      12.52290972      12.63090187     -54.83263219      51.42599163      97.03926909 
O      11.86136659      12.05835534      11.74645637      83.48906417     -76.35497351      74.19209903 
O      12.73193431      12.52500758      12.95070203      41.06797662      14.33429065      24.17683503