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_002
==== 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 16:54:56       -7.337990        0.2655
BFGS:    1 16:54:56       -7.339992        0.2522
BFGS:    2 16:54:56       -7.355522        0.0881
BFGS:    3 16:54:56       -7.356569        0.0404
BFGS:    4 16:54:56       -7.356625        0.0411
BFGS:    5 16:54:56       -7.356838        0.0502
BFGS:    6 16:54:56       -7.357255        0.0582
BFGS:    7 16:54:56       -7.358111        0.0603
BFGS:    8 16:54:56       -7.359153        0.0466
BFGS:    9 16:54:56       -7.359788        0.0250
BFGS:   10 16:54:56       -7.359950        0.0085
BFGS:   11 16:54:56       -7.359963        0.0048
BFGS:   12 16:54:56       -7.359964        0.0048
BFGS:   13 16:54:56       -7.359966        0.0046
BFGS:   14 16:54:56       -7.359970        0.0041
BFGS:   15 16:54:56       -7.359978        0.0035
BFGS:   16 16:54:56       -7.359990        0.0029
BFGS:   17 16:54:56       -7.359998        0.0014
BFGS:   18 16:54:56       -7.360000        0.0003
BFGS:   19 16:54:56       -7.360000        0.0000
BFGS:   20 16:54:56       -7.360000        0.0000
BFGS:   21 16:54:56       -7.360000        0.0000
BFGS:   22 16:54:56       -7.360000        0.0000
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.