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_1959LowCutoff_Mo__MO_228581001644_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 15:19:33      -25.211132        3.6818
BFGS:    1 15:19:33      -25.390011        3.3007
BFGS:    2 15:19:33      -25.544108        2.7285
BFGS:    3 15:19:33      -25.668205        2.0970
BFGS:    4 15:19:33      -25.759605        1.4058
BFGS:    5 15:19:33      -25.815656        0.6578
BFGS:    6 15:19:33      -25.834116        0.1926
BFGS:    7 15:19:33      -25.835138        0.1392
BFGS:    8 15:19:33      -25.836217        0.0032
BFGS:    9 15:19:33      -25.836218        0.0003
BFGS:   10 15:19:33      -25.836218        0.0000
BFGS:   11 15:19:33      -25.836218        0.0000
BFGS:   12 15:19:33      -25.836218        0.0000
Minimization converged after 12 steps.
Maximum force component: 7.987057446175894e-32 eV/Angstrom
Maximum stress component: 3.0772651832735466e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.37490637e-52 2.74981275e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8058663743002277, 1.1205661701627165e-17, 2.9713272420456766e-36], [-1.4029331871501138, 2.4299515597685333, -1.766131664961445e-36], [-1.5418605822100633e-36, -1.0225913968379962e-35, 9.170996584609483]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.30566488e-32 -7.98705745e-32 -1.88402101e-32]
 [-6.05237032e-32  6.48948418e-32 -7.15830065e-68]]
stress =  [ 3.07726518e-11  3.07726518e-11 -1.97724330e-11  3.68735586e-33
  1.27733754e-33 -2.03922129e-27]
energy per atom =  -6.459054455108102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0