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_KimJeonLee_2015_MgCa__MO_611309973581_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 21:15:54       -0.983453         0.970179
BFGS:    1 21:15:54       -1.016797         0.968579
BFGS:    2 21:15:54       -1.131196         0.892952
BFGS:    3 21:15:54       -1.224780         0.651835
BFGS:    4 21:15:54       -1.274098         0.141730
BFGS:    5 21:15:54       -1.275434         0.063847
BFGS:    6 21:15:54       -1.275716         0.003969
BFGS:    7 21:15:54       -1.275717         0.002243
BFGS:    8 21:15:55       -1.275717         0.001874
BFGS:    9 21:15:55       -1.275717         0.000631
BFGS:   10 21:15:55       -1.275717         0.000210
BFGS:   11 21:15:55       -1.275717         0.000018
BFGS:   12 21:15:55       -1.275717         0.000002
BFGS:   13 21:15:55       -1.275717         0.000000
BFGS:   14 21:15:55       -1.275717         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1575596156104416e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.089760750724903, 6.579547627266312e-17, 1.0861855794257714e-36], [-1.5448803753624516, 2.6758113017438445, -4.868248285134444e-36], [1.7374324738644522e-35, 1.329508032592878e-35, 3.079305360128573]])
forces =  [[0. 0. 0.]]
stress =  [ 2.15755962e-11  2.15755962e-11  3.03442647e-12 -5.85219304e-39
  1.62210490e-38 -4.02672961e-29]
energy per atom =  -1.2757174078393114
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0