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 09:26:18       -6.040525        0.6857
BFGS:    1 09:26:18       -6.050190        0.6450
BFGS:    2 09:26:18       -6.090759        0.4468
BFGS:    3 09:26:18       -6.117462        0.2633
BFGS:    4 09:26:18       -6.131342        0.0937
BFGS:    5 09:26:18       -6.133932        0.0159
BFGS:    6 09:26:18       -6.133951        0.0124
BFGS:    7 09:26:18       -6.133960        0.0140
BFGS:    8 09:26:18       -6.134001        0.0172
BFGS:    9 09:26:18       -6.134049        0.0158
BFGS:   10 09:26:18       -6.134091        0.0084
BFGS:   11 09:26:18       -6.134103        0.0019
BFGS:   12 09:26:18       -6.134104        0.0003
BFGS:   13 09:26:18       -6.134104        0.0000
BFGS:   14 09:26:18       -6.134104        0.0000
BFGS:   15 09:26:18       -6.134104        0.0000
BFGS:   16 09:26:18       -6.134104        0.0000
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 2.50772128e-37]
 [6.66666667e-01 3.33333333e-01 2.82076075e-38]
 [5.00000000e-01 1.62463429e-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, -6.218039876442079e-38], [-2.7342901242112605, 4.735929417767719, 9.412733111115496e-38], [9.119365146649492e-38, 1.9132881137803002e-36, 4.325512628625358]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.37027279e-32 -1.94582790e-32 -6.42213840e-70]
 [-5.05540918e-32  2.91874185e-32  9.63320760e-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 -2.50706972e-35
 -3.46073500e-49 -3.81578669e-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