element(s):
['Ca']
AFLOW prototype label:
A_oF4_69_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:
['5.6138', '0.95457622', '0.98761979']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  69
cell =  [[5.3588, 0, 0], [0, 5.5443, 0], [0, 0, 5.6138]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:46:53       -7.337990         0.265497
BFGS:    1 09:46:54       -7.339992         0.252172
BFGS:    2 09:46:54       -7.355522         0.088104
BFGS:    3 09:46:54       -7.356569         0.040417
BFGS:    4 09:46:54       -7.356625         0.041051
BFGS:    5 09:46:54       -7.356838         0.050164
BFGS:    6 09:46:54       -7.357255         0.058171
BFGS:    7 09:46:54       -7.358111         0.060295
BFGS:    8 09:46:54       -7.359153         0.046607
BFGS:    9 09:46:54       -7.359788         0.024975
BFGS:   10 09:46:54       -7.359950         0.008509
BFGS:   11 09:46:54       -7.359963         0.004841
BFGS:   12 09:46:54       -7.359964         0.004760
BFGS:   13 09:46:54       -7.359966         0.004587
BFGS:   14 09:46:54       -7.359970         0.004135
BFGS:   15 09:46:54       -7.359978         0.003466
BFGS:   16 09:46:55       -7.359990         0.002939
BFGS:   17 09:46:55       -7.359998         0.001381
BFGS:   18 09:46:55       -7.360000         0.000293
BFGS:   19 09:46:55       -7.360000         0.000049
BFGS:   20 09:46:55       -7.360000         0.000004
BFGS:   21 09:46:55       -7.360000         0.000000
BFGS:   22 09:46:55       -7.360000         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.347234772199514e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.83158653e-51 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([[5.58048670867306, -2.2120875303382284e-36, 0.0], [7.149990285085337e-35, 5.580486704702975, 0.0], [0.0, 0.0, 5.580486693118027]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.34723477e-11  4.89192987e-11 -5.19085644e-11  0.00000000e+00
  0.00000000e+00 -6.18438232e-36]
energy per atom =  -1.8400000000152945
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF4_69_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.