element(s):
['He']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8848', '1.635122']
model name:
TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['He']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.8848, 0, 0], [-1.4424, 2.4983100848373, 0], [0, 0, 4.717]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:57:59       -6.999686        9.2765
BFGS:    1 14:57:59       -8.543119       11.4174
BFGS:    2 14:57:59      -10.445900       14.0672
BFGS:    3 14:57:59      -12.789013       17.3469
BFGS:    4 14:57:59      -15.682068       21.4139
BFGS:    5 14:57:59      -19.258278       26.4604
BFGS:    6 14:58:00      -23.672074       32.7106
BFGS:    7 14:58:00      -29.129829       40.4687
BFGS:    8 14:58:00      -35.889105       50.1071
BFGS:    9 14:58:00      -44.252043       62.0779
BFGS:   10 14:58:00      -54.624535       76.9807
BFGS:   11 14:58:00      -67.487591       95.5286
BFGS:   12 14:58:00      -83.455713      118.6640
BFGS:   13 14:58:00     -103.296974      147.5247
BFGS:   14 14:58:00     -127.876634      183.5562
BFGS:   15 14:58:00     -157.743775      227.3107
BFGS:   16 14:58:00     -193.432497      281.4960
BFGS:   17 14:58:00     -221.154366      327.8189
BFGS:   18 14:58:00     -245.642838      369.2969
BFGS:   19 14:58:00     -302.929930      457.7479
BFGS:   20 14:58:00     -376.967629      574.1348
BFGS:   21 14:58:00     -470.539657      724.3478
BFGS:   22 14:58:00     -587.535528      916.7267
BFGS:   23 14:58:00     -734.767602     1165.5841
BFGS:   24 14:58:00     -921.462886     1491.3744
BFGS:   25 14:58:00    -1160.176712     1923.7414
BFGS:   26 14:58:00    -1468.399886     2506.9433
BFGS:   27 14:58:00    -1871.027907     3308.6910
BFGS:   28 14:58:00    -2404.771450     4436.3703
BFGS:   29 14:58:00    -3125.854037     6067.3446
BFGS:   30 14:58:00    -4124.466474     8508.5193
BFGS:   31 14:58:00    -5553.122762    12321.7891
BFGS:   32 14:58:00    -7686.352261    18607.6358
BFGS:   33 14:58:00   -10829.467104    28923.2973
BFGS:   34 14:58:01   -13281.851963    43300.8002
BFGS:   35 14:58:01   -17287.249667    65515.6857
BFGS:   36 14:58:01   -19646.824970    73459.2691
BFGS:   37 14:58:01   -21347.135461    87673.8594
BFGS:   38 14:58:02   -27063.316540   111611.5781
BFGS:   39 14:58:02   -39285.232049   169581.7513
BFGS:   40 14:58:03   -67760.712658   344907.6008
BFGS:   41 14:58:05  -141910.839500   957841.0598
Minimization stalled after 41 steps.
Maximum force component: 1.321147481154415e-19 eV/Angstrom
Maximum stress component: 7785009.051635165 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['He', 'He']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[0.24370869468481507, -1.695094070976646e-17, 8.427848156514453e-30], [-0.12185434734240755, 0.21105792072018556, 2.0008783129541295e-29], [1.386137526632604e-29, 6.612094348128753e-29, 0.4041540722977256]])
forces =  [[-1.32114748e-19  1.06787080e-19  7.68699986e-48]
 [ 1.32114748e-19 -1.06787080e-19 -7.68699986e-48]]
stress =  [ 7.78500905e+06  7.78500905e+06  7.76231243e+06  2.54142055e-18
 -1.90170330e-23  1.05157936e-09]
energy per atom =  -70955.41975001623
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0