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 14:47:35       -3.409926        0.2690
BFGS:    1 14:47:35       -3.412155        0.2403
BFGS:    2 14:47:35       -3.421087        0.0263
BFGS:    3 14:47:35       -3.421162        0.0309
BFGS:    4 14:47:35       -3.421184        0.0310
BFGS:    5 14:47:35       -3.421242        0.0243
BFGS:    6 14:47:35       -3.421283        0.0122
BFGS:    7 14:47:35       -3.421300        0.0032
BFGS:    8 14:47:35       -3.421302        0.0006
BFGS:    9 14:47:35       -3.421302        0.0001
BFGS:   10 14:47:35       -3.421302        0.0000
BFGS:   11 14:47:35       -3.421302        0.0000
BFGS:   12 14:47:35       -3.421302        0.0000
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, 1.2528685613878813e-17, -2.4846863814585372e-37], [-1.9842538541174521, 3.4368284904457904, 7.515532148195251e-37], [9.187576713370512e-36, 1.4480672266783154e-35, 6.492668152622596]])
forces =  [[-3.05722713e-33  1.76509091e-33  5.13592542e-70]
 [ 3.05722713e-33 -1.76509091e-33 -5.13592542e-70]]
stress =  [-1.85592807e-11 -1.85592807e-11  3.06542787e-12 -1.03548391e-47
  8.72245576e-48 -3.71723850e-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