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:
Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_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 17:55:07      -21.562798         2.832257
BFGS:    1 17:55:07      -21.590791         2.950674
BFGS:    2 17:55:07      -21.645726         0.361605
BFGS:    3 17:55:07      -21.647001         0.035661
BFGS:    4 17:55:07      -21.647013         0.000977
BFGS:    5 17:55:07      -21.647013         0.000034
BFGS:    6 17:55:07      -21.647013         0.000001
BFGS:    7 17:55:07      -21.647013         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.078047479697975e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7195178094534955, 6.124325692025127e-18, -9.929092707810112e-38], [-1.3597589047267478, 2.3551715090309355, 3.8113394372678443e-38], [-2.3928608532911724e-35, 1.207440430463567e-35, 2.4750336914205358]])
forces =  [[0. 0. 0.]]
stress =  [ 3.07804748e-10  3.07804748e-10  1.89739352e-10 -5.50662600e-35
 -1.90755120e-35 -9.32018791e-26]
energy per atom =  -4.371216812208047
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0