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:
MEAM_LAMMPS_HiremathMelinBitzek_2022_W__MO_943864507178_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 17:44:04      -69.381031         1.039583
BFGS:    1 17:44:04      -69.423973         0.887501
BFGS:    2 17:44:04      -69.517335         0.350929
BFGS:    3 17:44:04      -69.533649         0.021215
BFGS:    4 17:44:04      -69.533707         0.000464
BFGS:    5 17:44:04      -69.533707         0.000001
BFGS:    6 17:44:05      -69.533707         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.6596479913075298e-31 eV/Angstrom
Maximum stress component: 1.0259562937226442e-12 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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.38393116e-36 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.71021595e-49 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.049249053636557, -2.401167794395088e-32, 5.214619306504209e-34], [-2.0329077803794953e-32, 5.049249053636557, 7.710214428662995e-20], [-8.592255123304753e-33, 7.710214428663515e-20, 5.049249053636557]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.24473599e-31  1.03727999e-32 -2.07455999e-32]
 [-1.65964799e-31  7.89244750e-64 -1.71400388e-65]
 [-2.07455999e-32  3.16785767e-52  2.07455999e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.07455999e-32 -1.03727999e-32 -1.58392884e-52]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.02595629e-12 -1.02595629e-12 -1.02595629e-12  3.03560291e-30
  0.00000000e+00  8.18036633e-61]
energy per atom =  -8.691713327696378
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0