element(s):
['Ca', 'Zn']
AFLOW prototype label:
AB5_hP6_191_a_cg
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:
['5.3747', '0.78067613']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Zn', 'Zn']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.        ]
 [0.5        0.         0.5       ]]
spacegroup =  191
cell =  [[5.3747, 0, 0], [-2.68735, 4.6546267377202, 0], [0, 0, 4.1959]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:48:33       -6.040525         0.685689
BFGS:    1 17:48:33       -6.050190         0.645037
BFGS:    2 17:48:33       -6.090759         0.446785
BFGS:    3 17:48:33       -6.117462         0.263290
BFGS:    4 17:48:33       -6.131342         0.093719
BFGS:    5 17:48:33       -6.133932         0.015884
BFGS:    6 17:48:33       -6.133951         0.012368
BFGS:    7 17:48:33       -6.133960         0.013952
BFGS:    8 17:48:33       -6.134001         0.017211
BFGS:    9 17:48:33       -6.134049         0.015812
BFGS:   10 17:48:33       -6.134091         0.008352
BFGS:   11 17:48:33       -6.134103         0.001914
BFGS:   12 17:48:33       -6.134104         0.000263
BFGS:   13 17:48:33       -6.134104         0.000024
BFGS:   14 17:48:33       -6.134104         0.000002
BFGS:   15 17:48:33       -6.134104         0.000000
BFGS:   16 17:48:33       -6.134104         0.000000
Minimization converged after 16 steps.
Maximum force component: 5.055409177786331e-32 eV/Angstrom
Maximum stress component: 1.3240048166165102e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Zn', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.91831450e-39]
 [6.66666667e-01 3.33333333e-01 0.00000000e+00]
 [5.00000000e-01 1.62672446e-34 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.468580248422521, 9.68088586723516e-18, 1.6067049259465e-39], [-2.7342901242112605, 4.735929417767719, -1.800494976381404e-38], [-1.8665551841095465e-37, -6.649054455623023e-38, 4.325512628625358]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.37027279e-32 -1.94582790e-32  8.05774358e-71]
 [-5.05540918e-32  2.91874185e-32 -1.20866154e-70]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.32400482e-11 -1.32400482e-11 -3.49087833e-12 -1.17518893e-35
  1.35699129e-36  2.68019472e-28]
energy per atom =  -1.022350749332148
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0