element(s):
['Ca']
AFLOW prototype label:
A_oC2_65_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7599', '1.719966', '0.92776404']
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 =  65
cell =  [[3.7599, 0, 0], [0, 6.4669, 0], [0, 0, 3.4883]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:16:00       -1.954134         0.975816
BFGS:    1 21:16:00       -1.987815         0.976765
BFGS:    2 21:16:00       -2.106826         0.965651
BFGS:    3 21:16:00       -2.220983         0.926235
BFGS:    4 21:16:00       -2.326587         0.849852
BFGS:    5 21:16:00       -2.418955         0.725861
BFGS:    6 21:16:00       -2.492204         0.541275
BFGS:    7 21:16:00       -2.538997         0.280357
BFGS:    8 21:16:00       -2.550317         0.100420
BFGS:    9 21:16:01       -2.551380         0.020660
BFGS:   10 21:16:01       -2.551396         0.011694
BFGS:   11 21:16:01       -2.551401         0.012588
BFGS:   12 21:16:01       -2.551420         0.011640
BFGS:   13 21:16:01       -2.551431         0.006611
BFGS:   14 21:16:01       -2.551434         0.001551
BFGS:   15 21:16:01       -2.551435         0.000238
BFGS:   16 21:16:01       -2.551435         0.000123
BFGS:   17 21:16:01       -2.551435         0.000112
BFGS:   18 21:16:01       -2.551435         0.000083
BFGS:   19 21:16:01       -2.551435         0.000054
BFGS:   20 21:16:01       -2.551435         0.000025
BFGS:   21 21:16:01       -2.551435         0.000005
BFGS:   22 21:16:02       -2.551435         0.000001
BFGS:   23 21:16:02       -2.551435         0.000000
BFGS:   24 21:16:02       -2.551435         0.000000
Minimization converged after 24 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.52636587666813e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.0897607492842285, -1.9649816741032825e-36, 0.0], [-1.0863397751909058e-35, 5.351622604692409, 0.0], [0.0, 0.0, 3.079305360659431]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.52636588e-11  4.32178953e-11  3.64470998e-11  0.00000000e+00
  0.00000000e+00 -4.36266301e-46]
energy per atom =  -1.2757174078393112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC2_65_a, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.