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 15:01:15       -6.999686         9.276477
BFGS:    1 15:01:15       -8.543119        11.417366
BFGS:    2 15:01:15      -10.445900        14.067234
BFGS:    3 15:01:15      -12.789013        17.346895
BFGS:    4 15:01:15      -15.682068        21.413904
BFGS:    5 15:01:15      -19.258278        26.460445
BFGS:    6 15:01:15      -23.672074        32.710563
BFGS:    7 15:01:15      -29.129829        40.468720
BFGS:    8 15:01:15      -35.889105        50.107059
BFGS:    9 15:01:15      -44.252043        62.077863
BFGS:   10 15:01:15      -54.624535        76.980676
BFGS:   11 15:01:15      -67.487591        95.528648
BFGS:   12 15:01:15      -83.455713       118.664018
BFGS:   13 15:01:15     -103.296974       147.524740
BFGS:   14 15:01:15     -127.876634       183.556193
BFGS:   15 15:01:15     -157.743775       227.310740
BFGS:   16 15:01:15     -193.432497       281.496010
BFGS:   17 15:01:15     -221.154366       327.818863
BFGS:   18 15:01:15     -245.642838       369.296904
BFGS:   19 15:01:15     -302.929930       457.747872
BFGS:   20 15:01:15     -376.967628       574.134844
BFGS:   21 15:01:15     -470.539656       724.347767
BFGS:   22 15:01:15     -587.535527       916.726700
BFGS:   23 15:01:15     -734.767601      1165.584137
BFGS:   24 15:01:15     -921.462885      1491.374427
BFGS:   25 15:01:15    -1160.176711      1923.741372
BFGS:   26 15:01:15    -1468.399885      2506.943270
BFGS:   27 15:01:15    -1871.027905      3308.690984
BFGS:   28 15:01:16    -2404.771449      4436.370334
BFGS:   29 15:01:17    -3125.854036      6067.344633
BFGS:   30 15:01:17    -4124.466478      8508.519375
BFGS:   31 15:01:17    -5553.122761     12321.788601
BFGS:   32 15:01:18    -7686.351505     18607.629976
BFGS:   33 15:01:18   -10829.470673     28923.289145
BFGS:   34 15:01:18   -13281.909069     43301.065417
BFGS:   35 15:01:19   -17287.411091     65516.399958
BFGS:   36 15:01:19   -19646.911446     73459.551416
BFGS:   37 15:01:20   -21347.210824     87674.062129
BFGS:   38 15:01:20   -27063.480921    111612.179807
BFGS:   39 15:01:21   -39286.001922    169585.758956
BFGS:   40 15:01:22   -67764.062231    344929.709757
BFGS:   41 15:01:23  -141920.910163    957925.801854
Minimization stalled after 41 steps.
Maximum force component: 3.522976439598641e-20 eV/Angstrom
Maximum stress component: 7785997.834482474 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([[0.24370291784619227, 1.0045136203903845e-15, 1.2998856640488883e-29], [-0.12185145892309535, 0.21105291783118982, 2.600842275343621e-29], [2.314076739701818e-29, 6.687828190920539e-29, 0.40414807838286265]])
forces =  [[ 3.52297644e-20  1.45212780e-34  1.14108913e-22]
 [-6.53366414e-51 -1.88827027e-50 -1.14108913e-22]]
stress =  [ 7.78599783e+06  7.78599783e+06  7.76329722e+06  9.48512021e-19
 -1.66560976e-21 -6.12972940e-08]
energy per atom =  -70960.45508165241
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0