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 13:03:43     -150.333144        73.160842
BFGS:    1 13:03:44     -157.639752        49.010703
BFGS:    2 13:03:44     -161.926462        30.361000
BFGS:    3 13:03:44     -164.742241        14.486315
BFGS:    4 13:03:44     -165.376792         5.492268
BFGS:    5 13:03:44     -165.511054         1.459751
BFGS:    6 13:03:44     -165.534814         0.198468
BFGS:    7 13:03:44     -165.534945         0.002515
BFGS:    8 13:03:44     -165.534945         0.000012
BFGS:    9 13:03:44     -165.534945         0.000000
BFGS:   10 13:03:44     -165.534945         0.000000
Minimization converged after 10 steps.
Maximum force component: 3.945580013544318e-31 eV/Angstrom
Maximum stress component: 5.956621501995944e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.28025165e-51 1.60314041e-50 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, -3.198812731471816e-17, 9.23765879582355e-36], [-1.5400985854260714, 2.6675289986229123, -4.7159099168044865e-35], [8.064036635922616e-35, 2.28067680189452e-34, 5.030919840784182]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.77176353e-31 -3.94558001e-31  5.76083133e-66]
 [ 1.77176353e-31  3.94558001e-31 -5.76083133e-66]]
stress =  [ 5.95662150e-10  5.95662150e-10  9.89069552e-11 -9.79698936e-32
 -1.69688833e-32  6.67492186e-26]
energy per atom =  -41.383736197223534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0