element(s):
['Ca']
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:
['3.8897', '1.6595367']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.8897, 0, 0], [-1.94485, 3.3685790131003, 0], [0, 0, 6.4551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:47       -3.709757         0.119221
BFGS:    1 18:00:47       -3.710149         0.108592
BFGS:    2 18:00:47       -3.712198         0.034332
BFGS:    3 18:00:47       -3.712222         0.032847
BFGS:    4 18:00:47       -3.712262         0.026015
BFGS:    5 18:00:47       -3.712304         0.013483
BFGS:    6 18:00:47       -3.712327         0.005055
BFGS:    7 18:00:47       -3.712331         0.001047
BFGS:    8 18:00:47       -3.712332         0.000169
BFGS:    9 18:00:47       -3.712332         0.000012
BFGS:   10 18:00:47       -3.712332         0.000000
BFGS:   11 18:00:47       -3.712332         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.832713850114668e-33 eV/Angstrom
Maximum stress component: 9.615849721947976e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.931034775110353, -1.5168933499119074e-17, 6.554949177983713e-38], [-1.9655173875551766, 3.404375978405613, 3.1826577045113887e-37], [2.099223762691596e-36, 3.491255631979941e-36, 6.421142212561674]])
forces =  [[ 8.58035060e-33 -8.74211952e-34  6.59555737e-33]
 [-8.83271385e-33  1.31131793e-33 -6.59555737e-33]]
stress =  [-9.61584972e-11 -9.61584972e-11  2.71342002e-11  1.87953059e-34
 -1.62772124e-34 -9.34451206e-27]
energy per atom =  -1.8561658663212763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0