432 Lattice="18.554254162435726 0.0 0.0 18.554254162435726 22.724227627939204 0.0 0.0 0.0 85.69842908236" Properties=species:S:1:pos:R:3:forces:R:3:energies:R:1 energy=-466.72749862385785 stress="0.0001703169729464249 -3.094252772939507e-09 -6.566708734425932e-09 -3.094252772939507e-09 -0.0003005950901668882 -9.869917757439412e-07 -6.566708734425932e-09 -9.869917757439412e-07 -1.9298954109277167e-07" free_energy=-466.72749862385785 pbc="T T F" Na 0.00106419 -0.24861614 21.42697286 0.00000027 -0.00000914 -0.00000166 -0.66284834 Na 6.18581617 3.53875491 21.42697306 0.00000020 -0.00000915 -0.00000195 -0.66284835 Na 21.64769479 20.26544523 23.17767180 -0.00000036 -0.00000905 -0.00000166 -0.98895866 Na 9.27819110 1.32858893 23.17767143 0.00000013 -0.00000861 -0.00000194 -0.98895867 Na 24.74007202 17.65641112 25.02330669 0.00000048 -0.00000835 -0.00000201 -1.11560148 Na 30.92482124 21.44378311 25.02330587 0.00000112 -0.00000920 -0.00000120 -1.11560149 Na 27.83244905 15.17371283 26.76864180 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0.00000034 0.00000938 0.00000182 -0.98895867 Na 15.46293552 17.93623428 62.49360000 0.00000021 0.00000919 0.00000188 -0.66284836 Na 21.64768581 21.72360513 62.49360043 0.00000023 0.00000917 0.00000209 -0.66284833 Na 24.74007283 14.90086882 21.42697334 -0.00000008 -0.00000932 -0.00000184 -0.66284836 Na 30.92482210 18.68824048 21.42697282 0.00000006 -0.00000938 -0.00000192 -0.66284833 Na 27.83244947 12.69070305 23.17767150 -0.00000069 -0.00000972 -0.00000179 -0.98895867 Na 15.46294530 16.47807436 23.17767121 -0.00000001 -0.00000911 -0.00000174 -0.98895867 Na 12.37057024 10.08166913 25.02330577 -0.00000034 -0.00000836 -0.00000156 -1.11560149 Na 18.55532212 13.86904024 25.02330627 -0.00000016 -0.00000878 -0.00000187 -1.11560149 Na 15.46294391 7.59897091 26.76864121 -0.00000039 -0.00000940 -0.00000136 -1.13634436 Na 21.64769722 11.38634124 26.76864195 -0.00000025 -0.00000821 -0.00000164 -1.13634437 Na 18.55531770 5.04745468 28.58080747 0.00000022 -0.00000747 -0.00000169 -1.13054344 Na 24.74007087 8.83482574 28.58080762 0.00000000 -0.00000820 -0.00000096 -1.13054345 Na 3.09343929 2.53907371 30.34842295 -0.00000070 -0.00000770 -0.00000023 -1.13407006 Na 9.27819045 6.32644510 30.34842309 0.00000001 -0.00000681 -0.00000183 -1.13407005 Na 6.18581616 0.00297846 32.14547125 -0.00000002 -0.00000579 -0.00000104 -1.13195311 Na 12.37056569 3.79035071 32.14547066 0.00000020 -0.00000689 -0.00000110 -1.13195311 Na 27.83244758 20.20942705 33.92308302 -0.00000061 -0.00000639 -0.00000046 -1.13333484 Na 15.46294270 1.27257092 33.92308269 -0.00000018 -0.00000566 -0.00000099 -1.13333484 Na 30.92482311 17.67951448 35.71362606 -0.00000017 -0.00000459 -0.00000150 -1.13245873 Na 18.55532002 21.46688563 35.71362576 -0.00000062 -0.00000548 -0.00000006 -1.13245873 Na 15.46294298 15.15780561 37.49543002 -0.00000127 -0.00000383 0.00000009 -1.13301014 Na 21.64769581 18.94517588 37.49543068 -0.00000098 -0.00000239 -0.00000100 -1.13301015 Na 18.55531565 12.63035267 39.28334975 0.00000077 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49.99749019 0.00000069 0.00000632 0.00000127 -1.13333484 Na 6.18581318 1.26556208 49.99749033 0.00000060 0.00000524 0.00000141 -1.13333484 Na 21.64768748 17.68463863 51.77510273 0.00000017 0.00000641 0.00000044 -1.13195310 Na 27.83244088 21.47201003 51.77510227 -0.00000043 0.00000740 0.00000070 -1.13195311 Na 24.74006269 15.14854355 53.57215076 0.00000139 0.00000764 0.00000076 -1.13407005 Na 30.92481423 18.93591589 53.57214962 0.00000048 0.00000625 0.00000264 -1.13407005 Na 27.83244037 12.64016326 55.33976611 -0.00000044 0.00000754 0.00000104 -1.13054344 Na 15.46293568 16.42753468 55.33976570 -0.00000039 0.00000861 0.00000089 -1.13054344 Na 12.37056326 10.08864779 57.15193163 0.00000083 0.00000902 0.00000154 -1.13634438 Na 18.55531260 13.87601893 57.15193181 0.00000083 0.00000837 0.00000141 -1.13634436 Na 15.46293952 7.60594935 58.89726717 -0.00000055 0.00000848 0.00000147 -1.11560150 Na 21.64769030 11.39332007 58.89726771 -0.00000019 0.00000860 0.00000158 -1.11560149 Na 18.55531332 4.99691512 60.74290203 0.00000030 0.00000891 0.00000177 -0.98895867 Na 24.74006641 8.78428608 60.74290260 -0.00000014 0.00000925 0.00000164 -0.98895866 Na 3.09343293 2.78674865 62.49360072 0.00000012 0.00000951 0.00000163 -0.66284834 Na 9.27818702 6.57412010 62.49360069 -0.00000004 0.00000940 0.00000166 -0.66284835