element(s):
['W']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0614']
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 =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:23:17      -33.628954        1.0175
BFGS:    1 17:23:17      -33.667063        0.7282
BFGS:    2 17:23:17      -33.704726        0.0555
BFGS:    3 17:23:17      -33.704931        0.0027
BFGS:    4 17:23:17      -33.704932        0.0000
BFGS:    5 17:23:17      -33.704932        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.72503353196138e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.011999659692983, -4.0576809327202475e-33, 3.218939092785271e-32], [6.116755087183181e-33, 4.011999659692983, 1.0853512785778935e-18], [-1.2487263062131325e-32, 1.0853512785779426e-18, 4.011999659692983]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.72503353e-11 -9.72503353e-11 -9.72503353e-11 -5.04687395e-27
  3.24056566e-36  8.95816762e-52]
energy per atom =  -8.426232956777572
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0