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 15:23:17      -33.628954         1.017527
BFGS:    1 15:23:17      -33.667063         0.728221
BFGS:    2 15:23:17      -33.704726         0.055538
BFGS:    3 15:23:17      -33.704931         0.002707
BFGS:    4 15:23:17      -33.704932         0.000009
BFGS:    5 15:23:17      -33.704932         0.000000
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, 2.8713210088831556e-32, -1.217180411413562e-34], [3.479128472770356e-32, 4.011999659692983, 1.0853512785779262e-18], [-1.3711447919009874e-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  1.47201709e-27
  3.24056566e-36 -2.62189462e-53]
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