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=67409.76994067426 stress="-3.2973873795376045 -1.1200138474250516 0.2365549904106576 -1.1200138474250516 -4.055587567025052 0.45571564106014883 0.2365549904106576 0.45571564106014883 -3.900491692214561" pbc="F F F" Ra 20.78826804 21.47833736 21.02127572 -9150.10743261 -34310.30558998 -3018.45940995 Ra 22.72619227 22.66123580 22.45601604 -60351.51922047 -72464.76032352 55054.44002091 Ra 23.83179047 20.88127639 21.19598421 4211.93415348 -8866.22800208 -5966.35688634 Ra 25.74325223 22.47258590 22.66613532 6042.98767397 -1363.63736035 -2930.26048149 Ra 21.21483004 23.66164023 20.95673986 -11975.07185692 38599.94208659 -13330.36530775 Ra 22.14565478 25.61065632 22.64272890 2447.29555699 8666.64824453 -4624.96300725 Ra 23.71463135 23.79781307 21.07129112 56300.71262921 57785.65423464 -71404.39477957 Ra 25.63038881 25.46602465 22.79214268 2722.05515813 2528.44218377 -8303.35904290 Ra 20.92637356 21.04236624 23.69626016 -4700.97993707 -4730.89828678 -508.21782117 Ra 22.25582159 22.20658387 25.54642028 -6168.68515791 1123.96330400 16701.96408181 Ra 23.99557644 21.14342218 24.31440307 7878.26018808 -15966.63523387 -5550.83224241 Ra 25.55109141 22.79068419 25.57503889 9136.96053709 -5155.07162346 8989.25201174 Ra 21.13901581 24.08326487 24.32083039 -22115.29274762 -7548.69016330 -6484.97255680 Ra 22.74498331 25.25007927 25.54176820 1661.37207733 16465.93158809 18091.71585032 Ra 23.85888907 23.72072611 24.02325201 14117.12757408 14289.96417532 12177.52117261 Ra 25.25524017 25.32449094 25.24824377 9942.95080423 10945.68076641 11107.28839823