element(s):
['Ca']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5236']
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 =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:49:14       -4.364590        1.1388
BFGS:    1 16:49:14       -4.420222        1.1408
BFGS:    2 16:49:14       -4.591563        1.1428
BFGS:    3 16:49:14       -4.762722        1.1381
BFGS:    4 16:49:14       -4.932624        1.1258
BFGS:    5 16:49:14       -5.100031        1.1047
BFGS:    6 16:49:14       -5.263520        1.0734
BFGS:    7 16:49:14       -5.421456        1.0304
BFGS:    8 16:49:14       -5.571979        0.9742
BFGS:    9 16:49:14       -5.712968        0.9030
BFGS:   10 16:49:14       -5.842017        0.8147
BFGS:   11 16:49:14       -5.956404        0.7071
BFGS:   12 16:49:14       -6.053053        0.5777
BFGS:   13 16:49:14       -6.128499        0.4239
BFGS:   14 16:49:14       -6.178842        0.2425
BFGS:   15 16:49:14       -6.199703        0.0302
BFGS:   16 16:49:14       -6.199998        0.0027
BFGS:   17 16:49:14       -6.200000        0.0000
BFGS:   18 16:49:15       -6.200000        0.0000
BFGS:   19 16:49:15       -6.200000        0.0000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.11177428419358e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.04777618e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.525483388436418, 1.3082801106293392e-32, -1.9773705359785596e-33], [1.2606005381864267e-32, 4.525483388436418, -1.2775242009214374e-17], [-2.8343661442600875e-32, -1.2775242009214352e-17, 4.525483388436418]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.11177428e-15 -7.11177428e-15 -7.11177428e-15 -1.26422997e-30
  1.56732581e-36 -1.03445909e-52]
energy per atom =  -1.5500000001746275
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0