32
Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5052.519140623262 stress="-0.9491888214416033 0.01711900558858634 0.006836012039763844 0.01711900558858634 -0.723743137281605 0.014072164612193499 0.006836012039763844 0.014072164612193499 -0.8489679317992912" free_energy=5052.519140623262 pbc="F F F"
C      10.35540510      10.61115480      10.61044915    -192.44332776    -321.24984751    -191.08581863 
C      11.45960170      11.09512630      10.33833517     -15.70113575     -50.17839104    -456.79140988 
C      11.06428531      10.33509776      11.39041416     -40.61351912    -468.16284674    -213.79632047 
C      10.27812781      11.26878885      10.80164101    -460.81771708      23.92302215      74.69576585 
C      11.84054841      10.45894820      10.70259391     125.29134892    -437.93563439    -167.58345647 
C      12.81504129      10.86449487      10.36550211     200.95816694     -78.40906232    -317.68652211 
C      12.53802619      10.72277084      11.43584377     272.82865282    -500.62598609    -122.28776362 
C      11.93922526      11.44581920      11.39685009     -36.69454617    -377.06048618    -118.08299634 
C      10.76959405      11.87804706      10.35402479    -230.31795992     176.92672106    -495.39884634 
C      11.45996341      12.74207130      10.65300231    -240.57373915     569.96384788    -613.75709318 
C      11.28848316      11.95774659      11.16852158    -546.31132007    -308.17453739    -209.96566236 
C      10.45789336      12.63825682      11.02041603    -546.45867308     361.55861312    -180.05693432 
C      12.19178619      12.47770345      10.79140871     358.83971739     264.10339024    -583.04194132 
C      12.86455359      12.78253581      10.64904689     449.21816073     376.99147359    -292.23005017 
C      12.53091226      11.87900266      11.21603997     675.35880623     -58.15476133    -378.48039123 
C      11.68688212      12.57157598      11.12498257      -9.67191365     525.72806731      56.92294573 
C      10.35198705      10.47567541      12.12165461    -616.57674930    -211.39434580    -135.36827710 
C      11.18745442      10.77492495      11.97644859     -11.41621022     120.47124751       1.50475655 
C      11.01128685      10.34140700      12.56668137      41.22932995    -456.22134064     407.76311646 
C      10.41986395      10.99396547      12.84073906    -218.15036039     206.86787473     305.89407723 
C      12.27219963      10.43381326      12.13132919      41.25087592    -419.06437421     242.72261146 
C      13.00978669      11.17662715      11.48847692     738.70977240     -98.91177448     103.22342608 
C      12.93365717      10.70288723      12.83343331     264.40092916     -76.50802367     232.59606484 
C      11.79585403      11.09894620      12.97094491     123.22853844      -8.70097690     424.17097734 
C      10.73171545      12.17983874      11.82183498    -587.05093086      21.30299791     119.57079714 
C      11.46219253      12.67485375      12.41177904     -45.46449953     574.07826135       4.91866198 
C      11.04221642      12.28278197      12.81210000     -79.82468576    -336.14692701     500.62396954 
C      10.63362859      12.57702941      12.82034430    -751.48264218     407.28783591     346.95295189 
C      12.03305812      12.05473499      11.91561068      58.18899438     -52.11451193     290.01064568 
C      12.88661615      12.65480033      11.87719504     490.59833830     369.39764667      85.62672378 
C      12.54869006      12.21211997      12.51735611     547.13023081      12.15457500     570.23454710 
C      11.83533445      12.49148635      12.83611608     242.33806759     248.25825321     708.18144489