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:
Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
==== 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 18:14:59      -17.758206        1.1502
BFGS:    1 18:14:59      -17.795642        0.3705
BFGS:    2 18:14:59      -17.800005        0.0020
BFGS:    3 18:14:59      -17.800005        0.0000
BFGS:    4 18:15:00      -17.800005        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.710760404603622e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1651999637870367, -6.6593896429739734e-37, -3.830013928353818e-33], [1.18842707332359e-37, 3.1651999637870363, -4.8196470383384985e-20], [-7.293442923075626e-33, -4.8196470383374603e-20, 3.1651999637870367]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.71076040e-12  2.71076040e-12  2.71076040e-12 -8.22801997e-32
  2.05053367e-34 -2.27693334e-50]
energy per atom =  -8.900002358905654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0