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:
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 =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:17      -34.666820         1.382128
BFGS:    1 16:23:17      -34.744819         1.248054
BFGS:    2 16:23:18      -34.900907         0.806878
BFGS:    3 16:23:18      -34.978029         0.188641
BFGS:    4 16:23:19      -34.981481         0.041261
BFGS:    5 16:23:20      -34.981643         0.001533
BFGS:    6 16:23:20      -34.981644         0.000012
BFGS:    7 16:23:20      -34.981644         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.165969081902022e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.48472951e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9270064600555403, 1.7930859245100914e-32, 2.1522964234045427e-33], [1.432597544788894e-32, 3.9270064600555403, -7.134748276358739e-18], [1.7506240473644823e-33, -7.134748276358739e-18, 3.9270064600555403]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.16596908e-10 -2.16596908e-10 -2.16596908e-10 -1.88753164e-27
  1.07729723e-59 -1.52798197e-58]
energy per atom =  -8.745410903606807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0