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=395068.0216978112 stress="-21.533899343153912 6.642975319386687 2.610320877663891 6.642975319386687 -23.001225126958296 -3.764630421039298 2.610320877663891 -3.764630421039298 -21.305083998870522" free_energy=395068.0216978112 pbc="F F F"
Ta      21.09505672      21.22281285      21.20454752  -10864.13100252  -80386.17362468  -86169.23651764
Ta      22.30017446      22.77538633      21.06175463  220744.97683708 -217775.56779838  -51237.39916132
Ta      22.84790172      21.29234762      22.76297127  -19309.75143082 -270128.73842411 -169762.78614440
Ta      21.09053823      22.27231152      22.54872293  -29541.79765758   71773.36321326   80767.48395614
Ta      24.25286634      21.06637765      21.21022180   -6300.14119745  -10738.08209236  -13228.06850029
Ta      25.55977873      22.60186776      20.95897495   14257.80796294   -6117.31497059  -17653.13712773
Ta      25.37074928      20.84292988      22.93031463   85905.27169355   -5674.44005082  -84615.60713612
Ta      23.79119402      22.68255903      22.65460027   62683.90333069  -20221.01019242 -108665.46730677
Ta      21.22008529      23.91099379      21.21149411 -229757.53407093  206228.47207906    5044.85207173
Ta      22.23349930      25.71604468      21.24577105    6980.91782027   56582.22569747  -53153.99686731
Ta      22.78711739      24.36037284      22.28059969  -26120.25622410  -17666.70571590   28616.04325552
Ta      20.88690927      25.36546142      22.51101923  -28996.82878448   10938.70056920   26068.55992476
Ta      23.95263965      24.03106329      20.86027922   18412.02468217    -544.94892083  -35165.70509908
Ta      25.48202383      25.66745949      20.82773170   11303.85417948    3737.02844544  -13916.96487429
Ta      25.27167774      23.71188601      22.52898642   63124.68074604   28394.91454881   -9491.10303119
Ta      24.37791887      25.51344781      22.45049418  -77599.97717384   39461.03188998 -125557.92464213
Ta      20.84777541      20.83237132      23.93702750   -9304.46934374  -18385.78231503     -87.81056132
Ta      22.50790331      22.33624051      23.93125209  -58487.24181332  168420.21305554  162267.67947878
Ta      22.47930083      21.20840410      25.39966995  214815.78747548 -223941.48919017   36704.18616260
Ta      21.26564801      22.21806549      25.37814906 -250360.47704351  187278.78266331   22535.27310335
Ta      24.24259628      20.84034360      24.19313396  -76257.57457050  -20769.54358864   86659.89655837
Ta      25.27155065      22.59018065      24.19723681   28158.64180950    -719.17492926  -33393.17275017
Ta      25.63929528      21.46183135      25.69557464   33746.24435809  -27951.49430580   24588.59781790
Ta      24.01688919      22.41294493      25.59363028  -11993.36224418    7214.86528922   30258.87758730
Ta      20.80714136      24.10516493      24.24941126   -6394.54388197  -19010.99963203  -12066.31485257
Ta      22.67439653      25.42257520      24.13487098  -36450.97358174   31469.22294389   -9122.18499842
Ta      22.64490008      23.72427851      25.51062095  -15031.09014884   24118.99410531   14410.72740156
Ta      20.89278783      25.62994583      25.41058770   -2236.17282474   19118.26317854   16278.08004303
Ta      23.78754437      23.95926327      23.75661399   15521.31127746   60102.69943560  112638.21308957
Ta      25.20439875      25.37658895      23.87949525  132257.21122542   32719.81066839   34706.71718184
Ta      25.45791956      24.20700989      25.23222378   73301.86028212  -69437.97730638   49567.48184958
Ta      24.17898447      25.38894431      25.28273734  -86208.17068602   61910.85527438   92174.21008872