element(s):
['W']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2041']
model name:
MEAM_LAMMPS_HiremathMelinBitzek_2022_W__MO_943864507178_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:25:25      -17.278885         1.063284
BFGS:    1 22:25:25      -17.312981         0.423863
BFGS:    2 22:25:25      -17.318972         0.031478
BFGS:    3 22:25:25      -17.319004         0.000836
BFGS:    4 22:25:25      -17.319004         0.000002
BFGS:    5 22:25:25      -17.319004         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.998344050546071e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1647203282050516, 4.38356687083438e-33, -8.113828462964567e-33], [3.894226053675899e-33, 3.164720328205051, 6.127891578637034e-19], [3.8466803155641325e-33, 6.127891578636903e-19, 3.1647203282050516]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.99834405e-12 -4.99834405e-12 -4.99834405e-12 -7.75160112e-28
  2.72374992e-46  6.75321207e-61]
energy per atom =  -8.659502166080529
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0