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=-130.51899097901708 stress="0.0005505313243820034 0.0002512177268441258 0.000301426159701663 0.0002512177268441258 0.0004876473741850272 0.000142625469424133 0.000301426159701663 0.000142625469424133 0.0005168975784400837" free_energy=-130.51899097901708 pbc="F F F" C 34.75900849 34.98477095 35.18408192 0.00000000 0.00000000 0.00000000 C 37.06119496 35.93572417 35.98055861 -0.67586026 10.97914134 -10.00213466 C 37.14715992 37.22516294 35.23402360 2.41042175 -7.21372786 8.21699674 C 38.38021302 38.78131475 35.96390753 -0.78781868 2.31698314 1.23187243 C 37.29465675 34.93158033 37.83765651 11.48898370 4.26056606 6.70587075 C 38.85840215 35.76443239 38.32368882 -10.34912450 -4.46649510 -4.01189322 C 34.87364502 37.47843907 38.02587658 0.00000000 0.00000000 0.00000000 C 36.92238897 39.07636534 38.99475015 -7.84571801 1.74030981 4.45007103 C 40.94895099 35.60283397 34.87884026 4.56792891 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1.78305947 2.47792159 C 37.82350393 42.21827495 39.80335328 6.65664039 8.40069907 8.22117173 C 38.63834321 43.28337470 40.87827378 -6.33664013 -8.29708475 -8.38596015 C 37.36102597 39.94186987 42.87644269 -2.59759673 -3.47860282 3.76668855 C 39.23985324 40.62552796 43.53235402 -5.31479232 -2.57478308 -0.62711945 C 34.62935593 42.80367007 42.32271401 1.98994920 -1.88667378 -2.31313317 C 36.99298686 43.71154769 43.86888037 0.00000000 0.00000000 0.00000000 C 39.50493887 39.74812168 40.36805486 -5.71646277 -8.08037817 6.87768445 C 40.89974943 41.22892384 41.12165250 -9.18334063 6.47097314 3.82712433 C 42.34497277 42.80178516 39.71375535 -10.95480173 4.13798492 -6.56210255 C 43.95242221 43.67804080 41.64641947 0.00000000 0.00000000 0.00000000 C 42.51989586 40.82249415 42.44053329 11.70926150 0.17402013 11.76123960 C 43.85996323 41.06450817 43.96522630 -7.37914829 -1.34158756 -8.40186152 C 40.39757659 42.11536967 42.13716159 3.91432959 -5.82101900 -7.23099323 C 41.25995519 43.75314084 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