element(s):
['Sr']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.4144', '0.53583567']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Sr__MO_964297938209_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[7.4144, 0, 0], [0, 7.4144, 0], [0, 0, 3.9729]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:01       -5.968781        0.4355
BFGS:    1 17:16:01       -5.975850        0.4124
BFGS:    2 17:16:01       -6.020590        0.2506
BFGS:    3 17:16:01       -6.044094        0.0964
BFGS:    4 17:16:01       -6.048994        0.0110
BFGS:    5 17:16:01       -6.049028        0.0062
BFGS:    6 17:16:01       -6.049029        0.0064
BFGS:    7 17:16:01       -6.049034        0.0060
BFGS:    8 17:16:01       -6.049038        0.0040
BFGS:    9 17:16:01       -6.049040        0.0012
BFGS:   10 17:16:01       -6.049041        0.0003
BFGS:   11 17:16:01       -6.049041        0.0000
BFGS:   12 17:16:01       -6.049041        0.0000
BFGS:   13 17:16:01       -6.049041        0.0000
BFGS:   14 17:16:01       -6.049041        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.1802934589969087e-32 eV/Angstrom
Maximum stress component: 1.9062798884388827e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr', 'Sr', 'Sr']
basis =  [[0.00000000e+00 0.00000000e+00 6.38890027e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.14790410e-32 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 8.43477462e-33 7.50000000e-01]]
cellpar =  Cell([[7.660542524123568, 1.1431976989896831e-36, 3.416184979663636e-40], [-4.192827333295266e-37, 7.660542524123567, 1.201930729378347e-18], [-1.3080310198971717e-38, 6.449633647968469e-19, 4.112020244104283]])
forces =  [[ 1.18029346e-32  5.90146729e-33  1.58389258e-33]
 [-1.18029346e-32  2.48430851e-52  1.58389258e-33]
 [-1.18029346e-32 -2.48430851e-52 -1.58389258e-33]
 [ 1.18029346e-32  2.01850067e-52  1.28691272e-33]]
stress =  [-1.90627989e-11 -1.90627989e-11 -8.35159611e-12 -6.80254069e-29
 -5.29840204e-50 -7.39478035e-66]
energy per atom =  -1.512260231329322
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0