element(s):
['Ca']
AFLOW prototype label:
A_tI8_140_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4277', '0.87422755', '0.169563']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.169563 0.669563 0.      ]]
spacegroup =  140
cell =  [[7.4277, 0, 0], [0, 7.4277, 0], [0, 0, 6.4935]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:23:18      -13.690087        0.2805
BFGS:    1 17:23:18      -13.694490        0.2750
BFGS:    2 17:23:18      -13.734800        0.2108
BFGS:    3 17:23:18      -13.752361        0.1547
BFGS:    4 17:23:18      -13.755058        0.1306
BFGS:    5 17:23:18      -13.756759        0.1136
BFGS:    6 17:23:18      -13.761236        0.0829
BFGS:    7 17:23:18      -13.765792        0.0995
BFGS:    8 17:23:18      -13.768812        0.0962
BFGS:    9 17:23:18      -13.769642        0.0830
BFGS:   10 17:23:18      -13.769828        0.0750
BFGS:   11 17:23:18      -13.770029        0.0669
BFGS:   12 17:23:18      -13.770504        0.0502
BFGS:   13 17:23:18      -13.771319        0.0246
BFGS:   14 17:23:18      -13.772267        0.0202
BFGS:   15 17:23:18      -13.772812        0.0098
BFGS:   16 17:23:18      -13.772927        0.0033
BFGS:   17 17:23:18      -13.772932        0.0005
BFGS:   18 17:23:18      -13.772932        0.0000
BFGS:   19 17:23:18      -13.772932        0.0000
BFGS:   20 17:23:18      -13.772932        0.0000
BFGS:   21 17:23:18      -13.772932        0.0000
Minimization converged after 21 steps.
Maximum force component: 4.27487197740004e-09 eV/Angstrom
Maximum stress component: 1.8077173658434934e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
basis =  [[1.65074842e-01 6.65074842e-01 0.00000000e+00]
 [8.34925158e-01 3.34925158e-01 0.00000000e+00]
 [3.34925158e-01 1.65074842e-01 0.00000000e+00]
 [6.65074842e-01 8.34925158e-01 1.19194011e-34]
 [8.34925158e-01 6.65074842e-01 5.00000000e-01]
 [1.65074842e-01 3.34925158e-01 5.00000000e-01]
 [6.65074842e-01 1.65074842e-01 5.00000000e-01]
 [3.34925158e-01 8.34925158e-01 5.00000000e-01]]
cellpar =  Cell([[7.649365691414611, 4.294788822120612e-36, 3.1907081701279193e-32], [4.361392987049665e-36, 7.649365691414611, 5.7668628718277106e-18], [6.468010348722325e-33, 4.843475626893598e-18, 6.463176897993907]])
forces =  [[ 4.27487198e-09  4.27487198e-09  3.22282938e-27]
 [-4.27487198e-09 -4.27487198e-09 -3.22283436e-27]
 [-4.27487198e-09  4.27487198e-09  3.22283436e-27]
 [ 4.27487198e-09 -4.27487198e-09 -3.22282938e-27]
 [-4.27487198e-09  4.27487198e-09  3.22283436e-27]
 [ 4.27487198e-09 -4.27487198e-09 -3.22282938e-27]
 [ 4.27487198e-09  4.27487198e-09  3.22282938e-27]
 [-4.27487198e-09 -4.27487198e-09 -3.22283436e-27]]
stress =  [-1.80771737e-10 -1.80771737e-10  5.45293981e-11 -1.55082293e-26
 -3.89555190e-36  2.91477348e-52]
energy per atom =  -1.7216165204612075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0