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:
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002
==== 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 21:59:23      -26.394643         1.807438
BFGS:    1 21:59:23      -26.444282         1.592096
BFGS:    2 21:59:23      -26.515999         1.170538
BFGS:    3 21:59:23      -26.562054         0.743005
BFGS:    4 21:59:23      -26.590085         0.582349
BFGS:    5 21:59:23      -26.610267         0.695392
BFGS:    6 21:59:23      -26.631896         0.637835
BFGS:    7 21:59:23      -26.656886         0.355273
BFGS:    8 21:59:23      -26.665653         0.101096
BFGS:    9 21:59:23      -26.666244         0.014166
BFGS:   10 21:59:23      -26.666255         0.001592
BFGS:   11 21:59:23      -26.666256         0.000187
BFGS:   12 21:59:23      -26.666256         0.000013
BFGS:   13 21:59:23      -26.666256         0.000000
BFGS:   14 21:59:23      -26.666256         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.7394700219868187e-32 eV/Angstrom
Maximum stress component: 1.8117848820582908e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.62430830e-50 5.24861660e-50 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8224514783367707, 2.5781029038215733e-18, 4.330460649619149e-35], [-1.4112257391683853, 2.4443146811885876, 1.0076380363171026e-34], [1.515132472863065e-34, 5.026070847130526e-34, 9.107222347262104]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.73947002e-32 -1.00428349e-32  9.35459852e-33]
 [-1.66699210e-32  8.78748050e-33  1.84329355e-67]]
stress =  [-4.60108992e-11 -4.60108992e-11  1.81178488e-10 -7.38271564e-34
 -3.37100757e-43 -1.30577572e-26]
energy per atom =  -6.666563936450755
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0