element(s):
['Ca']
AFLOW prototype label:
A_hP1_191_a
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:
['3.7384', '0.93031778']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[3.7384, 0, 0], [-1.8692, 3.2375493695077, 0], [0, 0, 3.4779]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:57:27       -1.382240         1.217089
BFGS:    1 20:57:27       -1.404932         0.945996
BFGS:    2 20:57:27       -1.441717         0.367200
BFGS:    3 20:57:27       -1.448475         0.149765
BFGS:    4 20:57:27       -1.449658         0.098107
BFGS:    5 20:57:27       -1.450242         0.095779
BFGS:    6 20:57:27       -1.450902         0.064473
BFGS:    7 20:57:28       -1.451200         0.022419
BFGS:    8 20:57:28       -1.451260         0.008643
BFGS:    9 20:57:28       -1.451268         0.001111
BFGS:   10 20:57:28       -1.451268         0.000109
BFGS:   11 20:57:28       -1.451268         0.000004
BFGS:   12 20:57:28       -1.451268         0.000000
BFGS:   13 20:57:28       -1.451268         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.381011731558159e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.8106617981943898, 9.245445960316527e-18, -1.1389857124513764e-36], [-1.9053308990971949, 3.300129922467232, 1.75883044161005e-36], [3.903292129625058e-35, 1.0293821029505357e-34, 3.9147574468349595]])
forces =  [[0. 0. 0.]]
stress =  [ 3.22562312e-12  3.22562312e-12 -7.38101173e-12 -4.18247202e-45
 -6.77660231e-45 -1.13693567e-28]
energy per atom =  -1.4512679236927684
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0