108 Lattice="6.394720506445332 0.0 0.0 0.0 6.394720506445332 0.0 0.0 0.0 6.394720506445332" Properties=species:S:1:pos:R:3:forces:R:3 energy=7888.578974581057 stress="-122.15499323404701 -0.4014789121879399 -0.9858071763416617 -0.4014789121879399 -122.52589253705105 -1.062347240819451 -0.9858071763416617 -1.062347240819451 -122.78664218112168" free_energy=7888.578974581057 pbc="F F F" Ne 0.00322931 0.03019195 0.02387027 -195.69093475 -209.84113088 -205.48307866 Ne 1.11002935 1.04325474 0.03840849 -147.15129545 154.84508397 -491.87355133 Ne 1.06708084 0.02868398 1.08559462 20.99986161 -505.60674104 -69.36567446 Ne 0.01803558 1.11644730 1.02923142 -417.45608397 -86.89623820 12.34664408 Ne 2.09519121 0.01075413 0.03687906 86.55054463 -428.81420210 -382.71026517 Ne 3.18900771 1.04951392 0.01935541 87.64445930 9.24836058 -529.56253695 Ne 3.17250863 0.00537465 1.05162580 71.22472931 -471.51270874 2.60837117 Ne 2.16029255 1.05979772 1.03611208 -133.68948499 80.34053767 242.51143657 Ne 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1.02788612 0.04201683 5.36058131 124.65617289 -395.66903789 290.95152781 Ne 0.03957254 1.08228805 5.32046150 -506.79570664 -35.29037766 406.54513153 Ne 2.17492599 0.01795413 4.24348093 -156.57378227 -388.00155629 141.99153252 Ne 3.19222719 1.09371709 4.24179130 70.68812370 -96.94674063 176.43592588 Ne 3.23415508 0.01928902 5.30315816 -121.93672112 -265.23219478 334.82630947 Ne 2.08945064 1.08355961 5.35646919 108.74653900 -157.70049625 361.33047555 Ne 4.26742252 0.03040550 4.29484896 46.03254883 -459.93717379 -96.27624693 Ne 5.34172041 1.06478330 4.25676506 417.00315985 93.85964534 40.72313286 Ne 5.36554252 0.02408514 5.28936841 211.79443802 -216.50475907 232.96772939 Ne 4.27248265 1.06487218 5.33090321 26.95447338 59.71836047 385.61963386 Ne 0.02142094 2.11185064 4.28734076 -482.63702878 71.61475396 -69.21623804 Ne 1.10170490 3.15616813 4.22067524 -53.94386336 95.49134501 160.70964841 Ne 1.05267674 2.09175579 5.28736222 112.12854976 313.71415655 520.97490262 Ne 0.03284759 3.23977262 5.30848970 -270.39986352 -106.14616952 293.24453884 Ne 2.14281937 2.09793134 4.25526014 -50.56688920 133.70393820 7.15883154 Ne 3.22632424 3.20510177 4.28740217 -112.92648154 -76.02715258 -172.79808745 Ne 3.15511211 2.07052603 5.30448820 94.09331910 136.59658002 438.03881166 Ne 2.15731080 3.22935406 5.34615633 -115.34175918 -169.80242047 337.53411553 Ne 4.29770599 2.16972330 4.30572441 -165.90870505 -176.38353982 -130.61468636 Ne 5.29101887 3.19258231 4.22294911 457.20934576 161.04490201 196.92372480 Ne 5.30113311 2.16451761 5.30625178 391.94397730 -22.37416010 378.36680230 Ne 4.21278056 3.18696007 5.34371029 75.94988960 69.23853263 447.65527944 Ne 0.03542455 4.28979762 4.29730489 -461.80121112 -107.80028661 -219.22810216 Ne 1.06834073 5.28662728 4.27726955 79.60411107 553.61867426 -91.04014493 Ne 1.07572716 4.27082756 5.28798525 87.26252195 -70.67599127 498.68645520 Ne 0.00746429 5.33270502 5.31539091 -205.59083652 236.90009680 248.21489954 Ne 2.13151316 4.23272881 4.24499509 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