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:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
==== 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 16:09:51      -26.671012         4.085999
BFGS:    1 16:09:51      -26.863131         3.582044
BFGS:    2 16:09:51      -27.028765         3.018371
BFGS:    3 16:09:51      -27.165028         2.394000
BFGS:    4 16:09:51      -27.269097         1.707785
BFGS:    5 16:09:51      -27.338194         0.959091
BFGS:    6 16:09:51      -27.369851         0.226170
BFGS:    7 16:09:51      -27.372708         0.169419
BFGS:    8 16:09:51      -27.373697         0.098437
BFGS:    9 16:09:51      -27.374258         0.028467
BFGS:   10 16:09:51      -27.374283         0.005290
BFGS:   11 16:09:51      -27.374285         0.006853
BFGS:   12 16:09:51      -27.374283         0.011218
BFGS:   13 16:09:51      -27.374286         0.000273
BFGS:   14 16:09:51      -27.374286         0.000084
BFGS:   15 16:09:51      -27.374286         0.000000
BFGS:   16 16:09:51      -27.374286         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.7314964384478495e-32 eV/Angstrom
Maximum stress component: 1.052012081797625e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.53031292e-50 0.00000000e+00 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.794476524276923, -4.93111954753541e-18, -1.1578192258025156e-34], [-1.3972382621384616, 2.4200876603030563, -2.315704149227179e-34], [-3.939619356087987e-34, -1.1355750151889566e-33, 9.126658116113187]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.29630550e-32  4.05204941e-50  9.37456222e-33]
 [ 3.73149644e-32 -2.48582362e-32  1.42718986e-66]]
stress =  [-2.43585358e-12 -2.43585358e-12 -1.05201208e-11  2.04620438e-33
  9.66580897e-34 -2.45804888e-28]
energy per atom =  -6.843571520715333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0