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 23:29:38      -69.381031         1.039583
BFGS:    1 23:29:39      -69.423973         0.887501
BFGS:    2 23:29:39      -69.517335         0.350929
BFGS:    3 23:29:39      -69.533649         0.021215
BFGS:    4 23:29:39      -69.533707         0.000464
BFGS:    5 23:29:39      -69.533707         0.000001
BFGS:    6 23:29:39      -69.533707         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.5559199918508092e-32 eV/Angstrom
Maximum stress component: 1.0260689861319187e-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 2.38393116e-36 5.00000000e-01]
 [7.50000000e-01 4.76786232e-36 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 4.76786232e-36]
 [9.79578626e-40 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.049249053636557, 1.561238132136477e-32, -3.519421336695716e-33], [2.7422530708679435e-32, 5.049249053636557, 1.4819435060092996e-19], [1.6684903894836867e-33, 1.481943506009255e-19, 5.049249053636557]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.29659999e-32 -1.03727999e-32 -1.03727999e-32]
 [ 1.55591999e-32  4.81093643e-65 -1.08450543e-65]
 [ 2.12188521e-65  4.53809998e-33 -1.03727999e-32]
 [-7.75536500e-65 -1.49108999e-32  1.03727999e-32]
 [-1.03727999e-32  1.52219700e-52  5.18639997e-33]
 [ 1.03727999e-32 -4.56659100e-52 -1.55591999e-32]]
stress =  [-1.02606899e-12 -1.02606899e-12 -1.02606899e-12 -9.10276233e-30
  1.61155681e-34 -3.02441707e-52]
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