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 17:58:24       -6.212401        8.2713
BFGS:    1 17:58:24       -7.597489       10.2062
BFGS:    2 17:58:24       -9.301574       12.6011
BFGS:    3 17:58:24      -11.412930       15.5817
BFGS:    4 17:58:24      -14.017338       19.2775
BFGS:    5 17:58:24      -17.241051       23.8722
BFGS:    6 17:58:24      -21.237313       29.5914
BFGS:    7 17:58:24      -26.190294       36.7085
BFGS:    8 17:58:24      -32.353426       45.5973
BFGS:    9 17:58:24      -39.992120       56.6592
BFGS:   10 17:58:24      -49.493220       70.4720
BFGS:   11 17:58:25      -61.319339       87.7360
BFGS:   12 17:58:25      -76.039282      109.3194
BFGS:   13 17:58:25      -94.397706      136.3698
BFGS:   14 17:58:25     -117.307032      170.3126
BFGS:   15 17:58:25     -145.957486      213.0383
BFGS:   16 17:58:25     -181.795629      266.8838
BFGS:   17 17:58:25     -226.751856      335.0454
BFGS:   18 17:58:25     -283.265513      421.6733
BFGS:   19 17:58:25     -354.498113      532.3203
BFGS:   20 17:58:25     -444.570571      674.4923
BFGS:   21 17:58:25     -558.987659      858.6649
BFGS:   22 17:58:25     -705.063629     1099.4334
BFGS:   23 17:58:25     -892.735083     1417.7013
BFGS:   24 17:58:25    -1135.877313     1844.4595
BFGS:   25 17:58:25    -1453.904371     2425.8686
BFGS:   26 17:58:25    -1875.058351     3233.8451
BFGS:   27 17:58:25    -2441.239038     4383.1279
BFGS:   28 17:58:25    -3216.660607     6063.6939
BFGS:   29 17:58:25    -4303.296192     8603.1336
BFGS:   30 17:58:25    -5869.900490    12593.6445
BFGS:   31 17:58:25    -8209.568861    19166.9734
BFGS:   32 17:58:25   -11861.963240    30637.4465
BFGS:   33 17:58:26   -14923.997246    49616.8051
BFGS:   34 17:58:26   -23008.683258    91567.2868
BFGS:   35 17:58:26   -43306.919827   194535.2940
BFGS:   36 17:58:27   -85335.980761   474924.6324
BFGS:   37 17:58:30  -200818.227817  1498227.2305
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