element(s):
['Ca']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3822']
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 =  229
cell =  [[4.3822, 0, 0], [0, 4.3822, 0], [0, 0, 4.3822]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:38:05       -2.186260         1.162310
BFGS:    1 19:38:05       -2.244303         1.167723
BFGS:    2 19:38:05       -2.419787         1.167580
BFGS:    3 19:38:05       -2.593015         1.136118
BFGS:    4 19:38:05       -2.758544         1.063015
BFGS:    5 19:38:06       -2.909198         0.935378
BFGS:    6 19:38:06       -3.035636         0.737182
BFGS:    7 19:38:06       -3.125840         0.448575
BFGS:    8 19:38:06       -3.164472         0.045044
BFGS:    9 19:38:06       -3.164781         0.008386
BFGS:   10 19:38:06       -3.164792         0.000121
BFGS:   11 19:38:06       -3.164792         0.000000
BFGS:   12 19:38:06       -3.164792         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.330499299567298e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5685959390818627, -1.0490630423274038e-32, -1.469772055060043e-32], [-3.0337769362225227e-32, 3.5685959390818627, -5.275792410237461e-17], [-2.664986880575306e-32, -5.275792410237452e-17, 3.5685959390818613]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.33049930e-13 -4.33049930e-13 -4.33049930e-13  1.20554349e-28
  4.03287224e-35  2.90213574e-52]
energy per atom =  -1.582396085805586
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0