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:
EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
==== 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 15:19:48      -26.346952        1.2782
BFGS:    1 15:19:48      -26.392445        1.1265
BFGS:    2 15:19:48      -26.492335        0.7534
BFGS:    3 15:19:48      -26.559901        0.4732
BFGS:    4 15:19:48      -26.597735        0.5063
BFGS:    5 15:19:48      -26.608990        0.4796
BFGS:    6 15:19:48      -26.613480        0.4023
BFGS:    7 15:19:48      -26.622977        0.1062
BFGS:    8 15:19:48      -26.624245        0.0308
BFGS:    9 15:19:48      -26.624364        0.0026
BFGS:   10 15:19:48      -26.624366        0.0005
BFGS:   11 15:19:48      -26.624366        0.0000
BFGS:   12 15:19:48      -26.624366        0.0000
BFGS:   13 15:19:48      -26.624366        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.1967494486229104e-32 eV/Angstrom
Maximum stress component: 1.673117764856191e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.9127555011896993, -5.307217371882203e-19, 9.568050552859187e-36], [-1.4563777505948496, 2.5225202590431546, 1.915105480566822e-35], [3.9208072396123605e-35, 7.834521726053394e-35, 9.51291253350412]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.98374724e-33  1.09027508e-51 -1.96558881e-68]
 [-1.19674945e-32  1.03641542e-32  5.90291037e-68]]
stress =  [-1.67311776e-10 -1.67311776e-10  9.56258405e-11 -6.95575719e-35
  2.78024419e-35 -4.62461457e-26]
energy per atom =  -6.656090485023615
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0