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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:10:02     -120.449269       114.486039
BFGS:    1 16:10:02     -130.441186        84.730301
BFGS:    2 16:10:02     -137.496395        61.715043
BFGS:    3 16:10:02     -142.774009        40.842708
BFGS:    4 16:10:02     -145.731340        28.341009
BFGS:    5 16:10:02     -147.897236        14.996299
BFGS:    6 16:10:02     -148.882046         5.235828
BFGS:    7 16:10:02     -149.035957         0.825524
BFGS:    8 16:10:02     -149.040549         0.060719
BFGS:    9 16:10:02     -149.040573         0.000740
BFGS:   10 16:10:02     -149.040573         0.000005
BFGS:   11 16:10:02     -149.040573         0.000000
BFGS:   12 16:10:03     -149.040573         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.4069526256326363e-30 eV/Angstrom
Maximum stress component: 8.859526903958687e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.60438063e-49 2.63768559e-49 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.9953462735273706, 3.910674823696756e-17, -3.6146130786553792e-34], [-1.4976731367636853, 2.5940459660057553, -6.425758618957703e-34], [-1.5217773094596463e-33, -3.45185463002672e-33, 9.783904952919194]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.84546489e-32  1.28540770e-48  1.40695263e-30]
 [-4.92273244e-32  8.52642270e-32 -2.11209573e-65]]
stress =  [-3.27951803e-11 -3.27951803e-11 -8.85952690e-11  2.59017611e-33
 -2.24315832e-33 -3.77076086e-28]
energy per atom =  -37.260143199582906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0