16 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=-131.2065088265178 stress="-0.0017787625228408508 0.00019583773901595428 0.00015918474757174362 0.00019583773901595428 -0.0014494737331237427 -0.00021037266787663186 0.00015918474757174362 -0.00021037266787663186 -0.0016386816459501355" free_energy=-131.2065088265178 pbc="F F F" Ta 20.91870436 21.04860922 21.20118821 -2.63453664 -1.11647535 -2.77159483 Ta 22.70960170 22.31143450 22.33833517 -10.50674335 7.81111889 0.12155340 Ta 23.78829595 20.83509776 21.14041416 4.90161650 -8.98595089 -8.49585421 Ta 25.27812781 22.79098848 22.26215777 10.82563137 -4.50854294 0.58585411 Ta 20.87679405 24.09027739 21.20259391 -5.41547799 -3.52597325 -3.50362943 Ta 22.56504129 25.20865944 22.36550211 -17.30684722 23.78963476 16.42441398 Ta 23.78802619 24.22277084 21.18584377 15.47611288 -7.67799043 -28.40979889 Ta 25.40955323 25.48086654 22.83050726 3.49566975 4.03820424 -1.10804968 Ta 21.26959405 21.17626233 23.85402479 -6.25938985 -2.90172169 4.04799938 Ta 22.91285063 22.57550460 25.65300231 -4.05566186 -3.24856326 8.95405164 Ta 23.83433719 20.95774659 23.86661612 5.62760783 -9.35941081 4.24837123 Ta 25.45789336 22.60920173 25.27041603 5.52481827 -0.60562857 2.30670670 Ta 21.19178619 24.17895518 24.52312417 -7.30781909 -1.83692662 -2.26870502 Ta 22.79645686 25.53253581 25.64904689 -0.83935203 5.06040035 4.53382545 Ta 23.78091226 23.92792791 23.96603997 4.79073702 2.23028252 2.82770690 Ta 25.30598025 25.53376851 25.43846973 3.68363442 0.83754307 2.50714927