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_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 15:26:32        1.629032         1.560884
BFGS:    1 15:26:32        1.594927         1.374206
BFGS:    2 15:26:32        1.531146         0.932590
BFGS:    3 15:26:32        1.485846         0.466687
BFGS:    4 15:26:32        1.458265         0.440568
BFGS:    5 15:26:32        1.446667         0.323214
BFGS:    6 15:26:32        1.442794         0.167706
BFGS:    7 15:26:32        1.441396         0.036760
BFGS:    8 15:26:32        1.441352         0.004800
BFGS:    9 15:26:32        1.441350         0.000340
BFGS:   10 15:26:32        1.441350         0.000028
BFGS:   11 15:26:32        1.441350         0.000001
BFGS:   12 15:26:32        1.441350         0.000000
BFGS:   13 15:26:32        1.441350         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3758975236234657e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.34839358e-53 1.36526788e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.825675171340556, -8.97738659479589e-18, 6.176125751126292e-37], [-1.412837585670278, 2.4471064812238676, 3.6456371078980064e-37], [2.3297146907422405e-37, -1.6186526394073413e-36, 9.373181186495785]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.11442655e-12  1.11442655e-12  1.37589752e-11 -2.76770826e-46
 -9.76663867e-47  2.85436009e-28]
energy per atom =  -6.516709979941469
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0