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 17:24:02      -34.666820        1.3821
BFGS:    1 17:24:02      -34.744819        1.2481
BFGS:    2 17:24:02      -34.900907        0.8069
BFGS:    3 17:24:02      -34.978029        0.1886
BFGS:    4 17:24:03      -34.981481        0.0413
BFGS:    5 17:24:03      -34.981643        0.0015
BFGS:    6 17:24:03      -34.981644        0.0000
BFGS:    7 17:24:03      -34.981644        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1659691063455588e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9270064600555403, 3.2832911545747036e-33, -1.4587250088922833e-32], [-2.937230836367395e-33, 3.9270064600555403, -7.134748276358722e-18], [1.4434605244560783e-33, -7.134748276358736e-18, 3.9270064600555403]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.16596911e-10 -2.16596911e-10 -2.16596911e-10  2.04830249e-27
  1.09376344e-60 -1.36021529e-59]
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