element(s):
['H', 'W']
AFLOW prototype label:
AB_hP4_194_a_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:
['2.9605', '1.6139503']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'W']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.9605, 0, 0], [-1.48025, 2.5638682079038, 0], [0, 0, 4.7781]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:48:37     -150.333144       73.1608
BFGS:    1 15:48:37     -157.639752       49.0107
BFGS:    2 15:48:37     -161.926462       30.3610
BFGS:    3 15:48:37     -164.742241       14.4863
BFGS:    4 15:48:37     -165.376792        5.4923
BFGS:    5 15:48:37     -165.511054        1.4598
BFGS:    6 15:48:37     -165.534814        0.1985
BFGS:    7 15:48:37     -165.534945        0.0025
BFGS:    8 15:48:37     -165.534945        0.0000
BFGS:    9 15:48:37     -165.534945        0.0000
BFGS:   10 15:48:38     -165.534945        0.0000
Minimization converged after 10 steps.
Maximum force component: 3.507182234261618e-31 eV/Angstrom
Maximum stress component: 5.956854643667896e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.33710995e-52 2.50490689e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[3.0801971708521427, -2.882983538745325e-18, -1.3915016206601566e-37], [-1.5400985854260714, 2.6675289986229136, -2.7836837016597404e-37], [5.78976657466583e-36, 1.1453430022188174e-35, 5.0309198407841835]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.02487261e-31 -3.50718223e-31  8.26811662e-32]
 [ 2.02487261e-31  3.50718223e-31  1.65362332e-31]]
stress =  [ 5.95685464e-10  5.95685464e-10  9.89275584e-11  9.79698936e-32
 -1.10874504e-45  1.49980804e-25]
energy per atom =  -41.3837361972235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0