element(s):
['Sr']
AFLOW prototype label:
A_hP2_194_c
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:
['4.2616', '1.6451333']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.2616, 0, 0], [-2.1308, 3.6906538607678, 0], [0, 0, 7.0109]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:06       -3.194227         0.216827
BFGS:    1 15:12:06       -3.195903         0.194775
BFGS:    2 15:12:06       -3.203063         0.017661
BFGS:    3 15:12:06       -3.203103         0.010410
BFGS:    4 15:12:07       -3.203105         0.010874
BFGS:    5 15:12:07       -3.203114         0.009736
BFGS:    6 15:12:07       -3.203121         0.005918
BFGS:    7 15:12:07       -3.203124         0.001459
BFGS:    8 15:12:07       -3.203125         0.000356
BFGS:    9 15:12:07       -3.203125         0.000032
BFGS:   10 15:12:07       -3.203125         0.000003
BFGS:   11 15:12:07       -3.203125         0.000000
BFGS:   12 15:12:07       -3.203125         0.000000
Minimization converged after 12 steps.
Maximum force component: 2.912374896999485e-32 eV/Angstrom
Maximum stress component: 1.636335847109806e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sr', 'Sr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[4.3326409989801835, -2.8090513042762637e-18, -3.632299396031811e-38], [-2.1663204994900918, 3.7521771705948286, 3.539241585137658e-39], [1.8608469051561038e-36, 5.647095551207215e-36, 7.0883976696403685]])
forces =  [[-5.56290869e-33  1.92704810e-33 -2.91237490e-32]
 [ 5.56290869e-33 -1.92704810e-33  2.91237490e-32]]
stress =  [-1.63633585e-11 -1.63633585e-11 -3.71966245e-12  1.15858808e-34
  3.34455571e-35 -2.25948359e-27]
energy per atom =  -1.6015624482948483
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0