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:
Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
==== 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 17:43:45      -69.467191         0.411825
BFGS:    1 17:43:46      -69.473937         0.352636
BFGS:    2 17:43:47      -69.492523         0.001081
BFGS:    3 17:43:47      -69.492523         0.000001
BFGS:    4 17:43:48      -69.492523         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.5325480942775844e-31 eV/Angstrom
Maximum stress component: 7.927032886748596e-14 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 7.32307149e-38 5.00000000e-01]
 [7.50000000e-01 1.28153751e-36 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.28153751e-36]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.25386064e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.136617778908541, 5.599016339009196e-33, -7.709305642737868e-34], [5.599020354819331e-33, 5.136617778908541, -2.0491262924460798e-21], [-5.155469671808217e-33, -2.0491262924360807e-21, 5.136617778908541]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.44182698e-32  8.41914386e-54 -2.11045675e-32]
 [ 8.44182698e-32  2.11045675e-32  4.22091349e-32]
 [-2.11045675e-32 -1.68836540e-31  6.73531509e-53]
 [ 2.11045675e-32  1.68836540e-31  2.11045675e-32]
 [ 1.05522837e-32 -2.11045675e-32 -2.53254809e-31]
 [ 1.05522837e-32  2.11045675e-32  8.44182698e-32]]
stress =  [-7.92703289e-14 -7.92703289e-14 -7.92703289e-14 -5.13048554e-30
  6.56303214e-62 -3.10378029e-62]
energy per atom =  -8.686565391932843
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0