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 16:34:31      -13.690087         0.280524
BFGS:    1 16:34:31      -13.694490         0.275009
BFGS:    2 16:34:31      -13.734800         0.210812
BFGS:    3 16:34:31      -13.752361         0.154742
BFGS:    4 16:34:31      -13.755058         0.130575
BFGS:    5 16:34:31      -13.756759         0.113550
BFGS:    6 16:34:31      -13.761236         0.082853
BFGS:    7 16:34:31      -13.765792         0.099464
BFGS:    8 16:34:31      -13.768812         0.096202
BFGS:    9 16:34:31      -13.769642         0.082992
BFGS:   10 16:34:31      -13.769828         0.075024
BFGS:   11 16:34:31      -13.770029         0.066901
BFGS:   12 16:34:31      -13.770504         0.050248
BFGS:   13 16:34:31      -13.771319         0.024582
BFGS:   14 16:34:31      -13.772267         0.020206
BFGS:   15 16:34:31      -13.772812         0.009819
BFGS:   16 16:34:31      -13.772927         0.003289
BFGS:   17 16:34:31      -13.772932         0.000465
BFGS:   18 16:34:31      -13.772932         0.000026
BFGS:   19 16:34:31      -13.772932         0.000001
BFGS:   20 16:34:31      -13.772932         0.000000
BFGS:   21 16:34:31      -13.772932         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.274871148260954e-09 eV/Angstrom
Maximum stress component: 1.8077175530294893e-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 3.35233156e-34]
 [3.34925158e-01 1.65074842e-01 5.35441846e-35]
 [6.65074842e-01 8.34925158e-01 7.41237755e-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, -1.6819612925682473e-36, -2.0055732245241737e-32], [-2.5798772523107667e-36, 7.6493656914146095, 9.469202642565373e-20], [3.0649846936246006e-32, -2.0705582449447974e-19, 6.463176897993905]])
forces =  [[ 4.27487115e-09  4.27487115e-09  5.29189253e-29]
 [-4.27487115e-09 -4.27487115e-09 -5.29189253e-29]
 [-4.27487115e-09  4.27487115e-09  5.29164358e-29]
 [ 4.27487115e-09 -4.27487115e-09 -5.29189253e-29]
 [-4.27487115e-09  4.27487115e-09  5.29189253e-29]
 [ 4.27487115e-09 -4.27487115e-09 -5.29189253e-29]
 [ 4.27487115e-09  4.27487115e-09  5.29189253e-29]
 [-4.27487115e-09 -4.27487115e-09 -5.29139463e-29]]
stress =  [-1.80771755e-10 -1.80771755e-10  5.45293251e-11 -6.98540680e-26
 -5.84332714e-36  1.38775619e-51]
energy per atom =  -1.7216165204612073
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0