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:
Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
==== 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 16:27:30      -17.689810         0.385732
BFGS:    1 16:27:30      -17.694076         0.129982
BFGS:    2 16:27:30      -17.694618         0.001309
BFGS:    3 16:27:30      -17.694618         0.000009
BFGS:    4 16:27:30      -17.694618         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.3071147824241636e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1908296426606344, 9.007276461561852e-33, 8.588571738477391e-33], [2.5735600203686017e-32, 3.190829642660634, 2.0938154675419693e-20], [-2.516221736628127e-33, 2.0938154675430472e-20, 3.1908296426606344]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.30711478e-11  4.30711478e-11  4.30711478e-11  1.63697409e-28
 -3.97456518e-59  1.54241825e-58]
energy per atom =  -8.847308792169603
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0