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_001
==== 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 14:38:41       -5.441789        2.6012
BFGS:    1 14:38:41       -5.381331        2.3247
BFGS:    2 14:38:41       -5.445582        1.2649
BFGS:    3 14:38:41       -5.457708        1.2433
BFGS:    4 14:38:41       -5.460847        0.7605
BFGS:    5 14:38:41       -5.463937        0.3774
BFGS:    6 14:38:41       -5.464747        0.2382
BFGS:    7 14:38:41       -5.465117        0.0935
BFGS:    8 14:38:41       -5.465347        0.0433
BFGS:    9 14:38:41       -5.465386        0.0169
BFGS:   10 14:38:41       -5.465388        0.0025
BFGS:   11 14:38:41       -5.465388        0.0000
BFGS:   12 14:38:41       -5.465388        0.0000
BFGS:   13 14:38:41       -5.465388        0.0000
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