64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-48.68661905004885 stress="0.00016861512586716687 -5.396604755698791e-05 0.0001019920193394131 -5.396604755698791e-05 0.0002344356214934073 1.6062853461386978e-05 0.0001019920193394131 1.6062853461386978e-05 0.00018005022205478112" free_energy=-48.68661905004885 pbc="F F F" O 34.82185951 35.14504408 34.77785732 -0.20120702 -0.09093202 -0.19959765 O 36.61503163 35.89405784 36.42608947 5.25695783 -7.38649602 8.64633245 O 37.94538734 37.70206652 35.49534309 0.89309356 1.56188777 2.09529118 O 38.61797580 38.63861785 36.72346738 3.10747713 -1.79554500 -4.90410072 O 37.21678582 35.05424963 37.41484569 -5.23951326 7.02088457 -8.55089282 O 38.88292721 36.04790917 39.21002193 -0.69293978 1.78110531 1.41270551 O 35.02335215 37.40988482 37.25152325 -0.25457099 -0.04848047 0.05491002 O 36.70087419 39.19741700 38.29850622 -1.25323019 -1.49065994 0.87349776 O 40.48299828 34.69061894 34.63477178 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37.33597850 34.85170481 42.46820708 -3.46630715 1.62717436 -1.93863122 O 38.58423664 36.55236873 43.91233523 0.14254610 0.14956321 0.19504036 O 35.02334659 37.97459326 42.72051569 1.97576092 1.34344823 3.04718537 O 35.97666350 38.50289939 44.06725880 -2.11177508 -1.16508513 -2.88231253 O 40.52320419 34.82778622 40.39833146 0.12234124 -0.41430745 0.01782973 O 41.04916526 36.73233312 41.74183376 -1.99657471 2.06852444 2.29268279 O 42.47887287 37.51384398 39.80233882 -0.10771720 -1.55713703 -1.75009917 O 43.51668972 38.85560861 41.71514574 -1.43797178 2.13252225 1.29635674 O 42.65325303 35.26287833 42.82210365 2.95757670 2.04262554 3.31724756 O 43.72506806 36.12593432 44.04802678 -2.75110375 -2.22426463 -3.14878704 O 40.12077654 37.88408640 42.99716111 10.33372944 3.52799442 0.55644009 O 41.21557392 38.59442878 43.37864027 -8.96319676 -5.93488512 -1.92032875 O 34.85134851 40.08831562 40.24670614 -0.29873587 -0.11542981 -0.10101922 O 36.48978092 41.45541153 41.75858007 7.63823325 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43.33698312 -2.15178363 -2.82213130 -2.80389767