element(s):
['W']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1104']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['W', 'W']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1104, 0, 0], [0, 5.1104, 0], [0, 0, 5.1104]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:43:49       46.635641       437.931695
BFGS:    1 17:43:49      -15.330940       389.110672
BFGS:    2 17:43:49      -70.339952       345.136387
BFGS:    3 17:43:49     -119.067930       305.242559
BFGS:    4 17:43:50     -162.107992       269.268178
BFGS:    5 17:43:50     -200.018674       236.846109
BFGS:    6 17:43:50     -233.301472       207.452018
BFGS:    7 17:43:50     -262.391840       180.872123
BFGS:    8 17:43:50     -287.692386       156.878615
BFGS:    9 17:43:50     -309.572586       135.229109
BFGS:   10 17:43:50     -328.367320       115.704323
BFGS:   11 17:43:50     -344.380165        98.105797
BFGS:   12 17:43:50     -357.886360        82.253848
BFGS:   13 17:43:50     -369.137428        68.059643
BFGS:   14 17:43:50     -378.366684        55.224996
BFGS:   15 17:43:50     -385.790218        43.835634
BFGS:   16 17:43:50     -391.581904        33.551492
BFGS:   17 17:43:50     -395.905396        24.265158
BFGS:   18 17:43:50     -398.910060        15.951311
BFGS:   19 17:43:50     -400.734876         8.519471
BFGS:   20 17:43:51     -401.505883         1.887506
BFGS:   21 17:43:51     -401.548863         0.135664
BFGS:   22 17:43:51     -401.549091         0.002402
BFGS:   23 17:43:51     -401.549091         0.000003
BFGS:   24 17:43:51     -401.549091         0.000000
Minimization converged after 24 steps.
Maximum force component: 6.0574073304149785e-30 eV/Angstrom
Maximum stress component: 3.4318249707498194e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 8.02609173e-34 5.00000000e-01]
 [7.50000000e-01 1.20391376e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 5.35072782e-34]
 [9.59987053e-38 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.759007028670569, -2.980388325456214e-32, -2.2409908161968224e-32], [-1.2836887504673819e-33, 5.759007028670569, -8.871599725319006e-18], [2.1002646172658739e-32, -8.871599725318964e-18, 5.759007028670569]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.35020249e-63 -6.05740733e-30  9.33127759e-48]
 [-1.35020249e-63  6.05740733e-30 -9.33127759e-48]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-3.43182497e-12 -3.43182497e-12 -3.43182497e-12 -9.00185608e-29
 -9.29105971e-35 -2.30597595e-51]
energy per atom =  -50.193636349496444
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0