element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7779', '0.90949998']
model name:
MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:51       -5.441789         2.601241
BFGS:    1 15:30:51       -5.381331         2.324662
BFGS:    2 15:30:51       -5.445582         1.264879
BFGS:    3 15:30:51       -5.457708         1.243282
BFGS:    4 15:30:51       -5.460847         0.760491
BFGS:    5 15:30:51       -5.463937         0.377361
BFGS:    6 15:30:51       -5.464747         0.238164
BFGS:    7 15:30:51       -5.465117         0.093507
BFGS:    8 15:30:51       -5.465347         0.043337
BFGS:    9 15:30:51       -5.465386         0.016864
BFGS:   10 15:30:51       -5.465388         0.002457
BFGS:   11 15:30:51       -5.465388         0.000021
BFGS:   12 15:30:51       -5.465388         0.000000
BFGS:   13 15:30:51       -5.465388         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.555648296945414e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7314073010746083, 3.375184099216004e-17, 2.3324605104026243e-36], [-1.3657036505373041, 2.3654681108129023, 5.997662070344452e-35], [-3.482680609856273e-35, -1.8352894294583763e-34, 2.54260224616585]])
forces =  [[0. 0. 0.]]
stress =  [ 4.88956326e-11  4.88956326e-11  8.55564830e-11 -9.17669265e-39
  2.02144174e-38  3.77760980e-28]
energy per atom =  -5.465387541047463
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0