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 14:27:51      -69.467191        0.4118
BFGS:    1 14:27:52      -69.473937        0.3526
BFGS:    2 14:27:52      -69.492523        0.0011
BFGS:    3 14:27:52      -69.492523        0.0000
BFGS:    4 14:27:52      -69.492523        0.0000
Minimization converged after 4 steps.
Maximum force component: 5.909278886647698e-31 eV/Angstrom
Maximum stress component: 7.928251880795959e-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 3.66153575e-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 1.24492215e-36]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.25386064e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.136617778908541, -7.198978922146197e-33, 1.1452372770289824e-32], [-7.198974900824886e-33, 5.136617778908541, -2.0491262924588774e-21], [6.826241583200452e-33, -2.0491262924520784e-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  1.05522837e-32 -4.22091349e-32]
 [ 8.44182698e-32  3.16568512e-32  4.22091349e-32]
 [-4.22091349e-32  5.90927889e-31 -2.35736028e-52]
 [ 4.22091349e-32  8.44182698e-32 -3.16568512e-32]
 [ 2.53951202e-64 -2.11045675e-32  1.68836540e-31]
 [ 2.11045675e-32  2.11045675e-32  5.06509619e-31]]
stress =  [-7.92825188e-14 -7.92825188e-14 -7.92825188e-14 -2.30114870e-30
 -2.91975207e-34  1.17438557e-50]
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