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_1959LowCutoff_Ca__MO_887105884651_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 18:00:46       -3.409926         0.268958
BFGS:    1 18:00:46       -3.412155         0.240262
BFGS:    2 18:00:46       -3.421087         0.026304
BFGS:    3 18:00:46       -3.421162         0.030889
BFGS:    4 18:00:46       -3.421184         0.030966
BFGS:    5 18:00:46       -3.421242         0.024261
BFGS:    6 18:00:47       -3.421283         0.012196
BFGS:    7 18:00:47       -3.421300         0.003214
BFGS:    8 18:00:47       -3.421302         0.000586
BFGS:    9 18:00:47       -3.421302         0.000065
BFGS:   10 18:00:47       -3.421302         0.000004
BFGS:   11 18:00:47       -3.421302         0.000000
BFGS:   12 18:00:47       -3.421302         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.0572271319284664e-33 eV/Angstrom
Maximum stress component: 1.8559280680401125e-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([[3.9685077082349043, 1.2126146018866539e-17, -2.4121437818054702e-36], [-1.9842538541174521, 3.4368284904457904, -1.2136742260990495e-35], [2.8269884044315403e-36, -8.544761516710389e-36, 6.492668152622596]])
forces =  [[-3.05722713e-33  1.76509091e-33 -4.99437211e-69]
 [ 3.05722713e-33 -1.76509091e-33  4.99437211e-69]]
stress =  [-1.85592807e-11 -1.85592807e-11  3.06542787e-12 -9.14898141e-47
 -1.74102956e-47 -2.33213072e-28]
energy per atom =  -1.7106508464431878
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0