element(s):
['W']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0614']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:22:58      -99.866951      301.6035
BFGS:    1 17:22:58     -139.545962      229.9327
BFGS:    2 17:22:58     -169.519915      171.7608
BFGS:    3 17:22:58     -191.628187      124.6840
BFGS:    4 17:22:58     -207.420670       86.9639
BFGS:    5 17:22:58     -218.085819       56.3543
BFGS:    6 17:22:58     -224.630199       31.8175
BFGS:    7 17:22:58     -227.879204       12.2500
BFGS:    8 17:22:58     -228.542228        2.1196
BFGS:    9 17:22:58     -228.564753        0.1832
BFGS:   10 17:22:58     -228.564926        0.0031
BFGS:   11 17:22:58     -228.564926        0.0000
BFGS:   12 17:22:58     -228.564926        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.99024039918723e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.45780398e-34]]
cellpar =  Cell([[4.45584528734738, -1.730587799596056e-32, 1.4616918468379508e-32], [-3.150298048445638e-33, 4.45584528734738, 1.1269319800678537e-17], [-1.4621492341585154e-32, 1.1269319800678568e-17, 4.45584528734738]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.99024040e-12 -5.99024040e-12 -5.99024040e-12 -2.52913701e-32
 -1.39682748e-33 -3.39083064e-51]
energy per atom =  -57.14123148715385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0