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 16:29:34      -31.985534         0.177042
BFGS:    1 16:29:34      -31.987253         0.172483
BFGS:    2 16:29:34      -32.003132         0.082896
BFGS:    3 16:29:34      -32.003932         0.078804
BFGS:    4 16:29:34      -32.010225         0.046693
BFGS:    5 16:29:34      -32.010377         0.042645
BFGS:    6 16:29:34      -32.011284         0.006750
BFGS:    7 16:29:34      -32.011287         0.005139
BFGS:    8 16:29:34      -32.011288         0.004611
BFGS:    9 16:29:34      -32.011291         0.003777
BFGS:   10 16:29:34      -32.011296         0.004096
BFGS:   11 16:29:34      -32.011304         0.003573
BFGS:   12 16:29:34      -32.011311         0.001914
BFGS:   13 16:29:34      -32.011314         0.000754
BFGS:   14 16:29:34      -32.011314         0.000142
BFGS:   15 16:29:34      -32.011314         0.000008
BFGS:   16 16:29:34      -32.011314         0.000001
BFGS:   17 16:29:34      -32.011314         0.000000
BFGS:   18 16:29:34      -32.011314         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.300587323057475e-11 eV/Angstrom
Maximum stress component: 8.90269520708659e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Y', 'Y', 'Y', 'Y']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.17026214 0.34052429 0.25      ]
 [0.65947571 0.82973786 0.25      ]
 [0.17026214 0.82973786 0.25      ]
 [0.82973786 0.65947571 0.75      ]
 [0.34052429 0.17026214 0.75      ]
 [0.82973786 0.17026214 0.75      ]
 [0.33333333 0.66666667 0.56275575]
 [0.66666667 0.33333333 0.06275575]
 [0.66666667 0.33333333 0.43724425]
 [0.33333333 0.66666667 0.93724425]]
cellpar =  Cell([[6.010211495591699, -4.369622214416933e-19, 4.841723653207646e-38], [-3.0051057477958496, 5.204995837299673, -5.507752301078503e-38], [-6.71428130887809e-37, -1.831600106305016e-36, 9.745476756175826]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.99903016e-28  3.51419120e-12  7.00713272e-32]
 [-3.04337886e-12 -1.75709560e-12 -1.00101896e-32]
 [ 3.04337886e-12 -1.75709560e-12  1.20122275e-31]
 [ 1.11021743e-27 -3.51419120e-12 -1.60163034e-31]
 [ 3.04337886e-12  1.75709560e-12  8.00815168e-32]
 [-3.04337886e-12  1.75709560e-12 -4.00407584e-32]
 [ 1.23469294e-31 -4.27710180e-32 -6.30058732e-11]
 [-2.22244729e-31  1.28313054e-31 -6.30058732e-11]
 [-1.23469294e-31  4.27710180e-32  6.30058732e-11]
 [ 2.20701363e-31 -1.25639865e-31  6.30058732e-11]]
stress =  [ 6.11266737e-13  6.11266737e-13  8.90269521e-12 -8.09982673e-35
  7.01465571e-35  1.45585429e-28]
energy per atom =  -2.6676094978043854
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0