element(s):
['Ca']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5035']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[3.5035, 0, 0], [0, 3.5035, 0], [0, 0, 3.5035]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:38:06       -0.895876         0.691547
BFGS:    1 19:38:06       -0.916171         0.677424
BFGS:    2 19:38:06       -1.009078         0.541287
BFGS:    3 19:38:06       -1.070957         0.252259
BFGS:    4 19:38:06       -1.077384         0.189910
BFGS:    5 19:38:06       -1.081771         0.026551
BFGS:    6 19:38:06       -1.081871         0.002316
BFGS:    7 19:38:06       -1.081871         0.000032
BFGS:    8 19:38:06       -1.081871         0.000000
BFGS:    9 19:38:06       -1.081871         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.027003124772601e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.022500254409285, -9.212661173653571e-33, -1.2533620862737821e-33], [-9.789846526933053e-33, 3.022500254409285, 1.1676356579234367e-16], [-1.977342751827087e-33, 1.167635657923437e-16, 3.022500254409285]])
forces =  [[0. 0. 0.]]
stress =  [ 2.02700312e-14  2.02700312e-14  2.02700312e-14 -4.69773881e-31
 -1.36153324e-35 -3.05417691e-52]
energy per atom =  -1.081871357179372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0