element(s):
['W']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2041']
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 =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:34      -19.261790       379.927701
BFGS:    1 16:26:34      -63.989130       226.818348
BFGS:    2 16:26:34      -89.875544       125.368532
BFGS:    3 16:26:34     -103.329453        58.740865
BFGS:    4 16:26:34     -108.360945        19.883158
BFGS:    5 16:26:34     -109.198720         5.290409
BFGS:    6 16:26:34     -109.271003         0.661480
BFGS:    7 16:26:34     -109.272210         0.028534
BFGS:    8 16:26:34     -109.272212         0.000164
BFGS:    9 16:26:34     -109.272212         0.000000
BFGS:   10 16:26:34     -109.272212         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1159123868672861e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.566221767153629, 2.179266238125641e-32, -7.595629599698677e-35], [1.3463025684370912e-32, 3.5662217671536287, -5.043819793345406e-17], [1.1425358570339688e-33, -5.04381979334541e-17, 3.566221767153629]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.11591239e-14  1.11591239e-14  1.11591239e-14 -1.76154772e-31
  2.09988673e-32 -3.82585860e-49]
energy per atom =  -54.636106161781136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0