32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=734.9001139750288 stress="-1112.8878946982554 0.3849701159823269 -1.178356655434854 0.3849701159823269 -1042.0899197625354 -0.9182060489364403 -1.178356655434854 -0.9182060489364403 -1115.7409038123192" pbc="F F F"
Ca      -0.14459490       0.11115480       0.11044915     -23.18828443     -22.71766604     -25.11167548 
Ca       1.70960170       1.34512630      -0.16166483      -0.58767174       7.25080402     -34.18135684 
Ca       1.31428531      -0.16490224       1.36371066      -4.01639021     -31.98415066      10.82703516 
Ca      -0.22187219       1.48254321       1.23417995     -32.54448664       4.80595406       7.50821766 
Ca       2.63239121      -0.04105180       0.20259391      15.51596837     -31.59003569     -22.19035778 
Ca       4.56504129       0.91044416      -0.13449789      20.05847594      -1.03163727     -27.07699123 
Ca       4.28802619       0.22277084       1.68584377      22.80413256     -42.18925055     -22.96123830 
Ca       3.18362810       1.69581920       1.94559836     -23.50226956     -19.58047897      -7.02049146 
Ca       0.26959405       2.94917205      -0.14597521     -23.95422511      -0.10903741     -37.81111199 
Ca       1.70996341       4.49207130       0.15300231      -6.50723936      37.04405066     -41.53552920 
Ca       1.53848316       2.95774659       1.29942344      -9.52245012     -19.75001514       0.84714464 
Ca      -0.04210664       4.38825682       1.13178262     -34.16403687      30.95216363      -2.81857481 
Ca       3.25014153       3.17895518       0.29140871       3.87631131      -9.61357885     -55.39859757 
Ca       4.61455359       4.53253581       0.14904689      23.33563782      22.51697237     -17.58295483 
Ca       4.28091226       2.85254931       1.44797428      56.28352638       1.98969144     -11.72912788 
Ca       2.72599890       4.32157598       1.51361598      16.04231820      48.55773830       2.43088660 
Ca      -0.14801295      -0.02432459       3.26400130     -32.63472044     -30.88569459      -5.07183559 
Ca       1.14088401       1.17932024       2.99244975       4.54872773      11.16739734      -3.90561330 
Ca       1.62314058      -0.15859300       4.31668137       0.59957637     -31.47078563      24.93618495 
Ca      -0.08013605       1.24396547       4.59073906     -22.59091783       9.56563235      29.81358387 
Ca       3.27219963      -0.06618674       3.13132919      -7.84333032     -36.34511156       8.04965590 
Ca       4.75978669       1.22592512       2.78504734      49.74251739       8.72740883      19.63774754 
Ca       4.68365717       0.20288723       4.58343331      19.60501149     -12.79733609      23.94209850 
Ca       2.80586595       1.43262793       4.72094491       1.24668442       3.30914328      29.82821801 
Ca       0.23171545       3.28360448       2.69976863     -36.24981724      -5.67291761       9.65825393 
Ca       1.71219253       4.42485375       2.84895051      -9.40422278      40.99791532      13.20501351 
Ca       1.28303052       3.28278197       4.56210000       1.94890479     -20.86238202      27.74000512 
Ca       0.13362859       4.32702941       4.57034430     -33.15943328      28.46506133      17.18827640 
Ca       3.29476570       3.05473499       2.91561068     -10.12089576       0.72326737      18.44390828 
Ca       4.63661615       4.40480033       2.87719504      31.92762369      35.19036092       1.60012696 
Ca       4.29869006       3.11041876       4.26735611      34.99233499      -5.29570983      37.56939712 
Ca       2.83533445       4.24148635       4.58611608       7.46264024      30.63222667      31.16970212