32
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=66863.06285467921 stress="-2.617449009316272 -0.43021227448700033 0.30430738040028416 -0.43021227448700033 -4.575129809398376 -2.0504648493450475 0.30430738040028416 -2.0504648493450475 -3.9049913428678074" pbc="F F F"
Cf      21.23655039      21.29310723      20.70021290  -13879.06100657  -12421.36596582   -4264.36467590 
Cf      22.44893383      22.39458744      21.04603283   11331.89572656   13578.22677750   -2428.38158309 
Cf      22.63987172      21.29267106      22.59775004  -23432.78952633  -25567.59688775  -25084.79366948 
Cf      21.00899531      22.74809400      22.49121094   -3126.82909716       7.12378283     469.86372388 
Cf      23.42614951      20.71341505      21.20092125    7614.05989112   -8778.87005915  -13032.81215759 
Cf      25.56629666      22.50620320      21.07511189    2197.21635494   -1460.01027030   -5796.70994788 
Cf      25.71739406      20.92955203      22.27382637     993.25983843   -2093.56953192    1061.98807845 
Cf      24.06070078      22.25806373      22.28096780    8811.35755453    6841.62327592      62.58225117 
Cf      21.12126571      24.16384271      20.83139989   -5918.31006654   -7077.95104076   -6586.14859115 
Cf      22.43142472      25.39376842      21.10550503   18793.85283011    9752.95784311  -24003.70697751 
Cf      22.74061681      23.85948240      22.27001037   -9254.24849413   -3772.44770269   11256.91055733 
Cf      21.33148114      25.24405101      22.28743861  -20957.48809822    2298.77148324   23870.80571015 
Cf      24.01610053      24.14477582      21.16263860    9280.29425530   -9720.87963554  -20021.20198671 
Cf      25.59062458      25.39244273      21.18218507    2932.01087593    3093.33963330   -2579.18147143 
Cf      25.53441787      23.85694205      22.37165362    3602.59755343     576.18875081    4398.07580405 
Cf      23.90532659      25.44963901      22.25611361    1697.59932845   15258.28257723    9857.40187134 
Cf      20.95462725      20.94962076      23.97389961   -2493.20147329   -1095.10119897   -1427.48896177 
Cf      22.54396072      22.32028069      23.78999674   -3151.65848787   28534.07610712   31645.87157455 
Cf      22.16414843      21.03661792      25.51956047    4273.34440673   -5226.23899894    1912.38993278 
Cf      21.15702957      22.55781035      25.64765586  -15332.26163293   -8535.22921074    1409.60100941 
Cf      23.83905368      20.85584026      23.70815779   12555.74221476   -7827.68557917   11023.72005061 
Cf      25.68022595      22.60499341      24.27695358    5843.48083270   -4679.29711565  -23479.49689143 
Cf      25.53243132      21.19702018      25.23709480   11684.19117005  -20958.65944009    7578.85407779 
Cf      24.16683143      22.20129931      25.29343008  -15847.66787292    8656.35785794    3947.91660941 
Cf      20.84554317      24.36346565      24.28550806   -9006.75174534 -113192.49652675  -94048.76779135 
Cf      22.43226684      25.68080795      23.91738139    1916.07104340    1612.59038376    -209.95019451 
Cf      22.28039241      23.80535610      25.60382091   13232.43400484   12566.16260768     846.18893233 
Cf      20.91404227      25.46438229      25.19519803    5295.50441704  113407.50217469   94614.50218324 
Cf      24.15456851      24.27211296      23.74345531   -5854.11328057   -8341.81586799    2295.82938350 
Cf      25.24849632      25.63276769      24.04000172    6964.82921884    7462.59567070     196.72759388 
Cf      25.62204605      23.89978167      25.30646081      63.50817290   16696.45128441   14264.97341761 
Cf      23.87975187      25.62790275      25.48891020    -828.86890819     406.96482200    2248.80213833