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 16:33:46       -1.954134        0.9758
BFGS:    1 16:33:46       -1.987815        0.9768
BFGS:    2 16:33:46       -2.106826        0.9657
BFGS:    3 16:33:46       -2.220983        0.9262
BFGS:    4 16:33:46       -2.326587        0.8499
BFGS:    5 16:33:46       -2.418955        0.7259
BFGS:    6 16:33:46       -2.492204        0.5413
BFGS:    7 16:33:46       -2.538997        0.2804
BFGS:    8 16:33:46       -2.550317        0.1004
BFGS:    9 16:33:46       -2.551380        0.0207
BFGS:   10 16:33:46       -2.551396        0.0117
BFGS:   11 16:33:47       -2.551401        0.0126
BFGS:   12 16:33:47       -2.551420        0.0116
BFGS:   13 16:33:47       -2.551431        0.0066
BFGS:   14 16:33:47       -2.551434        0.0016
BFGS:   15 16:33:47       -2.551435        0.0002
BFGS:   16 16:33:47       -2.551435        0.0001
BFGS:   17 16:33:47       -2.551435        0.0001
BFGS:   18 16:33:47       -2.551435        0.0001
BFGS:   19 16:33:47       -2.551435        0.0001
BFGS:   20 16:33:47       -2.551435        0.0000
BFGS:   21 16:33:47       -2.551435        0.0000
BFGS:   22 16:33:47       -2.551435        0.0000
BFGS:   23 16:33:47       -2.551435        0.0000
BFGS:   24 16:33:47       -2.551435        0.0000
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.