element(s):
['He']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.292']
model name:
TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['He']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.292, 0, 0], [0, 3.292, 0], [0, 0, 3.292]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:08       -6.212401         8.271302
BFGS:    1 16:12:08       -7.597489        10.206165
BFGS:    2 16:12:08       -9.301574        12.601114
BFGS:    3 16:12:08      -11.412930        15.581730
BFGS:    4 16:12:08      -14.017338        19.277492
BFGS:    5 16:12:08      -17.241051        23.872207
BFGS:    6 16:12:08      -21.237313        29.591359
BFGS:    7 16:12:08      -26.190294        36.708487
BFGS:    8 16:12:08      -32.353426        45.597299
BFGS:    9 16:12:08      -39.992120        56.659215
BFGS:   10 16:12:08      -49.493220        70.472024
BFGS:   11 16:12:08      -61.319339        87.735977
BFGS:   12 16:12:08      -76.039282       109.319431
BFGS:   13 16:12:08      -94.397706       136.369842
BFGS:   14 16:12:08     -117.307032       170.312585
BFGS:   15 16:12:08     -145.957486       213.038310
BFGS:   16 16:12:08     -181.795629       266.883777
BFGS:   17 16:12:08     -226.751856       335.045383
BFGS:   18 16:12:08     -283.265513       421.673316
BFGS:   19 16:12:08     -354.498113       532.320254
BFGS:   20 16:12:08     -444.570571       674.492262
BFGS:   21 16:12:08     -558.987659       858.664859
BFGS:   22 16:12:08     -705.063629      1099.433363
BFGS:   23 16:12:08     -892.735083      1417.701252
BFGS:   24 16:12:08    -1135.877313      1844.459518
BFGS:   25 16:12:08    -1453.904371      2425.868595
BFGS:   26 16:12:08    -1875.058351      3233.845098
BFGS:   27 16:12:08    -2441.239038      4383.127895
BFGS:   28 16:12:08    -3216.660607      6063.693867
BFGS:   29 16:12:08    -4303.296192      8603.133621
BFGS:   30 16:12:08    -5869.900490     12593.644453
BFGS:   31 16:12:08    -8209.568861     19166.973365
BFGS:   32 16:12:09   -11861.963240     30637.446508
BFGS:   33 16:12:09   -14923.997246     49616.805108
BFGS:   34 16:12:09   -23008.683258     91567.286786
BFGS:   35 16:12:10   -43306.919827    194535.293960
BFGS:   36 16:12:11   -85335.980761    474924.632351
BFGS:   37 16:12:13  -200818.227817   1498227.230528
Minimization stalled after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 14931576.903471304 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[0.24690000001304496, 6.025784423227078e-32, 7.53499025576006e-30], [6.572719649843296e-32, 0.24690000001304582, -1.7502786245723208e-17], [3.497775307204169e-30, -1.7502786245722138e-17, 0.24690000001304405]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.49315769e+07  1.49315769e+07  1.49315769e+07  2.38570830e-09
 -2.17527792e-37 -1.49197065e-39]
energy per atom =  -100409.11390859271
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0