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_000
==== 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 10:48:38      -69.381031         1.039583
BFGS:    1 10:48:38      -69.423973         0.887501
BFGS:    2 10:48:38      -69.517335         0.350929
BFGS:    3 10:48:38      -69.533649         0.021215
BFGS:    4 10:48:38      -69.533707         0.000464
BFGS:    5 10:48:38      -69.533707         0.000001
BFGS:    6 10:48:39      -69.533707         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.2447359934806476e-31 eV/Angstrom
Maximum stress component: 1.0248776663767322e-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 1.90714493e-35 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 1.90714493e-35]
 [6.77553987e-50 5.00000000e-01 2.50000000e-01]
 [2.03266196e-49 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.049249053636558, 4.0621576789369564e-33, -1.6666727208319375e-33], [-8.277735082913907e-34, 5.049249053636558, 1.1305881201105155e-18], [-4.956908133682449e-33, 1.1305881201105219e-18, 5.049249053636558]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.03727999e-31  9.07619995e-33  3.11183998e-32]
 [-1.24473599e-31  1.03727999e-32 -7.77959996e-33]
 [ 4.40843998e-32 -1.24473599e-31 -1.03727999e-32]
 [-3.63047998e-32 -4.14911998e-32  3.88979998e-33]
 [-1.36142999e-32  3.11183998e-32 -8.29823996e-32]
 [ 1.03727999e-32 -1.03727999e-32 -2.32259575e-51]]
stress =  [-1.02487767e-12 -1.02487767e-12 -1.02487767e-12 -9.52616995e-29
 -3.22311362e-34 -2.70769392e-50]
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