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 15:50:20       -6.999686         9.276477
BFGS:    1 15:50:20       -8.543119        11.417366
BFGS:    2 15:50:20      -10.445900        14.067234
BFGS:    3 15:50:20      -12.789013        17.346895
BFGS:    4 15:50:20      -15.682068        21.413904
BFGS:    5 15:50:20      -19.258278        26.460445
BFGS:    6 15:50:20      -23.672074        32.710563
BFGS:    7 15:50:20      -29.129829        40.468720
BFGS:    8 15:50:20      -35.889105        50.107059
BFGS:    9 15:50:20      -44.252043        62.077863
BFGS:   10 15:50:20      -54.624535        76.980676
BFGS:   11 15:50:20      -67.487591        95.528648
BFGS:   12 15:50:20      -83.455713       118.664018
BFGS:   13 15:50:20     -103.296974       147.524740
BFGS:   14 15:50:20     -127.876634       183.556193
BFGS:   15 15:50:20     -157.743775       227.310740
BFGS:   16 15:50:20     -193.432497       281.496010
BFGS:   17 15:50:20     -221.154366       327.818863
BFGS:   18 15:50:20     -245.642838       369.296904
BFGS:   19 15:50:20     -302.929930       457.747873
BFGS:   20 15:50:20     -376.967629       574.134845
BFGS:   21 15:50:20     -470.539657       724.347768
BFGS:   22 15:50:20     -587.535528       916.726702
BFGS:   23 15:50:20     -734.767602      1165.584139
BFGS:   24 15:50:20     -921.462886      1491.374430
BFGS:   25 15:50:20    -1160.176712      1923.741376
BFGS:   26 15:50:20    -1468.399886      2506.943273
BFGS:   27 15:50:20    -1871.027907      3308.690990
BFGS:   28 15:50:20    -2404.771450      4436.370342
BFGS:   29 15:50:20    -3125.854037      6067.344628
BFGS:   30 15:50:20    -4124.466474      8508.519304
BFGS:   31 15:50:20    -5553.122762     12321.789063
BFGS:   32 15:50:20    -7686.352261     18607.635774
BFGS:   33 15:50:20   -10829.467104     28923.297253
BFGS:   34 15:50:21   -13281.851963     43300.800184
BFGS:   35 15:50:21   -17287.249667     65515.685700
BFGS:   36 15:50:21   -19646.824970     73459.269110
BFGS:   37 15:50:22   -21347.135461     87673.859388
BFGS:   38 15:50:22   -27063.316540    111611.578101
BFGS:   39 15:50:23   -39285.232049    169581.751252
BFGS:   40 15:50:23   -67760.712658    344907.600782
BFGS:   41 15:50:25  -141910.839500    957841.059779
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