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 16:23:21      -99.866951       301.603504
BFGS:    1 16:23:21     -139.545962       229.932712
BFGS:    2 16:23:21     -169.519915       171.760761
BFGS:    3 16:23:21     -191.628187       124.684039
BFGS:    4 16:23:21     -207.420670        86.963878
BFGS:    5 16:23:21     -218.085819        56.354338
BFGS:    6 16:23:21     -224.630199        31.817486
BFGS:    7 16:23:21     -227.879204        12.250029
BFGS:    8 16:23:21     -228.542228         2.119638
BFGS:    9 16:23:21     -228.564753         0.183246
BFGS:   10 16:23:21     -228.564926         0.003118
BFGS:   11 16:23:21     -228.564926         0.000005
BFGS:   12 16:23:21     -228.564926         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.990240399187231e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.07114687e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.18670597e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.45780398e-34]]
cellpar =  Cell([[4.45584528734738, -6.124342742696173e-33, 7.500027929437603e-33], [-1.3484773812882672e-32, 4.45584528734738, -8.44077094339057e-18], [-7.862544506405889e-33, -8.440770943390557e-18, 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 -1.11942095e-28
 -7.76015268e-35 -1.21883620e-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