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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:53:15       -7.179962       355.102460
BFGS:    1 16:53:15      -20.880853       141.327521
BFGS:    2 16:53:15      -22.382376       173.521727
BFGS:    3 16:53:15      -27.449566        68.568318
BFGS:    4 16:53:15      -28.849566        30.022659
BFGS:    5 16:53:15      -29.295827        10.129216
BFGS:    6 16:53:16      -29.366918         2.532263
BFGS:    7 16:53:16      -29.372148         0.332619
BFGS:    8 16:53:16      -29.372259         0.066278
BFGS:    9 16:53:16      -29.372264         0.024517
BFGS:   10 16:53:16      -29.372265         0.003261
BFGS:   11 16:53:16      -29.372265         0.000362
BFGS:   12 16:53:16      -29.372265         0.000007
BFGS:   13 16:53:16      -29.372265         0.000000
BFGS:   14 16:53:16      -29.372265         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2941029797316664e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.9748132035371064, -9.278444250884534e-17, 4.281729121110874e-34], [-1.4874066017685532, 2.576263805776502, 7.660608022298946e-34], [-9.948080126070306e-34, 6.798663191552077e-33, 2.911892146179865]])
forces =  [[0. 0. 0.]]
stress =  [-2.29410298e-10 -2.29410298e-10 -3.48599636e-11  3.97239136e-43
 -1.25890087e-43 -1.49990564e-25]
energy per atom =  -29.37226506850269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0