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_KimSeolJi_2017_PtMo__MO_831380044253_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 14:25:51      -26.394643         1.807438
BFGS:    1 14:25:51      -26.444282         1.592096
BFGS:    2 14:25:51      -26.515999         1.170538
BFGS:    3 14:25:51      -26.562054         0.743005
BFGS:    4 14:25:51      -26.590085         0.582349
BFGS:    5 14:25:51      -26.610267         0.695392
BFGS:    6 14:25:51      -26.631896         0.637835
BFGS:    7 14:25:51      -26.656886         0.355273
BFGS:    8 14:25:51      -26.665653         0.101096
BFGS:    9 14:25:51      -26.666244         0.014166
BFGS:   10 14:25:51      -26.666255         0.001592
BFGS:   11 14:25:51      -26.666256         0.000187
BFGS:   12 14:25:51      -26.666256         0.000013
BFGS:   13 14:25:51      -26.666256         0.000000
BFGS:   14 14:25:51      -26.666256         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.870919706792835e-32 eV/Angstrom
Maximum stress component: 1.811716856194745e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.98739317e-51 2.18692358e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.822451476637961, 4.2364843026085315e-18, 5.725352184043338e-36], [-1.4112257383189806, 2.444314679717376, 1.159603907318903e-35], [2.342261718360211e-35, 5.955971244456589e-35, 9.10722235889188]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.79823340e-33 -1.00428348e-32  1.87091971e-32]
 [-5.79823340e-33  1.00428348e-32  4.76440723e-68]]
stress =  [-4.60095699e-11 -4.60095699e-11  1.81171686e-10 -3.69135781e-33
  6.39361928e-34 -1.54279876e-26]
energy per atom =  -6.666563935836986
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0