element(s):
['Mg', 'Y']
AFLOW prototype label:
A2B_hP12_194_ah_f
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0513', '1.6254193', '0.56426309', '0.1710238']
model name:
MEAM_LAMMPS_AhmadGrohGhazisaeidi_2018_MgY__MO_135739722270_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Y']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.1710238  0.3420476  0.25      ]
 [0.33333333 0.66666667 0.56426309]]
spacegroup =  194
cell =  [[6.0513, 0, 0], [-3.02565, 5.2405795259208, 0], [0, 0, 9.8359]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:01      -31.985534         0.177042
BFGS:    1 14:05:01      -31.987253         0.172483
BFGS:    2 14:05:01      -32.003132         0.082896
BFGS:    3 14:05:01      -32.003932         0.078804
BFGS:    4 14:05:01      -32.010225         0.046693
BFGS:    5 14:05:01      -32.010377         0.042645
BFGS:    6 14:05:01      -32.011284         0.006750
BFGS:    7 14:05:02      -32.011287         0.005139
BFGS:    8 14:05:02      -32.011288         0.004611
BFGS:    9 14:05:02      -32.011291         0.003777
BFGS:   10 14:05:02      -32.011296         0.004096
BFGS:   11 14:05:02      -32.011304         0.003573
BFGS:   12 14:05:02      -32.011311         0.001914
BFGS:   13 14:05:02      -32.011314         0.000754
BFGS:   14 14:05:02      -32.011314         0.000142
BFGS:   15 14:05:03      -32.011314         0.000008
BFGS:   16 14:05:03      -32.011314         0.000001
BFGS:   17 14:05:03      -32.011314         0.000000
BFGS:   18 14:05:03      -32.011314         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.300548545889151e-11 eV/Angstrom
Maximum stress component: 8.902827762778852e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Y', 'Y', 'Y', 'Y']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.11665909e-53 2.40703066e-53 5.00000000e-01]
 [1.70262143e-01 3.40524285e-01 2.50000000e-01]
 [6.59475715e-01 8.29737857e-01 2.50000000e-01]
 [1.70262143e-01 8.29737857e-01 2.50000000e-01]
 [8.29737857e-01 6.59475715e-01 7.50000000e-01]
 [3.40524285e-01 1.70262143e-01 7.50000000e-01]
 [8.29737857e-01 1.70262143e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 5.62755750e-01]
 [6.66666667e-01 3.33333333e-01 6.27557496e-02]
 [6.66666667e-01 3.33333333e-01 4.37244250e-01]
 [3.33333333e-01 6.66666667e-01 9.37244250e-01]]
cellpar =  Cell([[6.010211495591698, -6.599706028400518e-19, 1.3395418188431649e-37], [-3.005105747795849, 5.204995837299675, 1.9235305131545196e-37], [2.565710700751864e-38, -5.949103276462647e-37, 9.745476756175828]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.53482810e-28  3.50825576e-12 -2.87792951e-32]
 [-3.03823861e-12 -1.75412788e-12 -3.00305688e-32]
 [ 3.03823861e-12 -1.75412788e-12 -2.75280214e-32]
 [ 4.56920946e-28 -3.50825576e-12 -1.74792928e-49]
 [ 3.03823861e-12  1.75412788e-12  1.55112013e-49]
 [-3.03823861e-12  1.75412788e-12  1.96809158e-50]
 [ 6.79081116e-32 -7.48492815e-32 -6.30054855e-11]
 [ 1.11122364e-31 -2.13855090e-32 -6.30054855e-11]
 [ 1.79030476e-31 -9.62347905e-32  6.30054855e-11]
 [ 1.11122364e-31 -2.13855090e-32  6.30054855e-11]]
stress =  [ 6.11362876e-13  6.11362876e-13  8.90282776e-12 -3.22699844e-48
 -1.17717034e-48  5.30924398e-29]
energy per atom =  -2.6676094978043867
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0