element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
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:
['2.7695', '3.5762773']
model name:
SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:21:09      -41.726282        1.0648
BFGS:    1 15:21:09      -41.742399        1.0004
BFGS:    2 15:21:09      -41.789441        0.7745
BFGS:    3 15:21:09      -41.826436        0.5145
BFGS:    4 15:21:09      -41.852561        0.3630
BFGS:    5 15:21:09      -41.867847        0.3868
BFGS:    6 15:21:09      -41.874319        0.3064
BFGS:    7 15:21:09      -41.878859        0.1422
BFGS:    8 15:21:09      -41.880159        0.0302
BFGS:    9 15:21:09      -41.880199        0.0035
BFGS:   10 15:21:09      -41.880200        0.0003
BFGS:   11 15:21:09      -41.880200        0.0000
BFGS:   12 15:21:09      -41.880200        0.0000
BFGS:   13 15:21:09      -41.880200        0.0000
BFGS:   14 15:21:09      -41.880200        0.0000
Minimization converged after 14 steps.
Maximum force component: 7.628744408715039e-32 eV/Angstrom
Maximum stress component: 7.934256100808052e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.65701580e-51 4.36827279e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8260532224829547, -2.644541148014202e-19, -5.7410154304565475e-36], [-1.4130266112414773, 2.4474338831171147, -1.211261247480234e-35], [-1.7515227243485304e-35, -5.141059001959041e-35, 9.283759131547553]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.61989274e-33 -3.14239080e-33 -7.62874441e-32]
 [-7.25704070e-33  2.51391264e-33  7.62874441e-32]]
stress =  [-7.93425610e-12 -7.93425610e-12  3.93341812e-12  7.23309824e-34
  9.15193258e-46  1.49307144e-27]
energy per atom =  -5.115444319187569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0