element(s):
['Ca', 'Cd']
AFLOW prototype label:
AB2_oI12_74_e_h
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.997', '1.479968', '1.7196118', '0.53373778', '0.96195096', '0.83474468']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Cd']
representative atom coordinates =  [[0.         0.25       0.53373778]
 [0.         0.96195096 0.83474468]]
spacegroup =  74
cell =  [[4.997, 0, 0], [0, 7.3954, 0], [0, 0, 8.5929]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:48      -17.748530         0.130482
BFGS:    1 16:34:48      -17.749122         0.129209
BFGS:    2 16:34:48      -17.761252         0.092556
BFGS:    3 16:34:48      -17.766959         0.083294
BFGS:    4 16:34:48      -17.768389         0.100343
BFGS:    5 16:34:48      -17.770254         0.106268
BFGS:    6 16:34:48      -17.773996         0.091497
BFGS:    7 16:34:48      -17.777073         0.076341
BFGS:    8 16:34:49      -17.778404         0.075743
BFGS:    9 16:34:49      -17.778729         0.075096
BFGS:   10 16:34:49      -17.779016         0.073682
BFGS:   11 16:34:49      -17.779731         0.068451
BFGS:   12 16:34:49      -17.780995         0.056072
BFGS:   13 16:34:49      -17.782692         0.034950
BFGS:   14 16:34:49      -17.783968         0.028343
BFGS:   15 16:34:49      -17.784485         0.031057
BFGS:   16 16:34:49      -17.784678         0.035081
BFGS:   17 16:34:49      -17.784983         0.039354
BFGS:   18 16:34:49      -17.785398         0.042377
BFGS:   19 16:34:50      -17.785742         0.041532
BFGS:   20 16:34:50      -17.785921         0.038038
BFGS:   21 16:34:50      -17.786057         0.034264
BFGS:   22 16:34:50      -17.786303         0.028443
BFGS:   23 16:34:50      -17.786836         0.021053
BFGS:   24 16:34:50      -17.787776         0.023882
BFGS:   25 16:34:50      -17.788832         0.020271
BFGS:   26 16:34:50      -17.789416         0.014728
BFGS:   27 16:34:50      -17.789634         0.008947
BFGS:   28 16:34:50      -17.789680         0.002506
BFGS:   29 16:34:50      -17.789681         0.001765
BFGS:   30 16:34:51      -17.789681         0.001847
BFGS:   31 16:34:51      -17.789682         0.001855
BFGS:   32 16:34:51      -17.789682         0.001558
BFGS:   33 16:34:51      -17.789683         0.000807
BFGS:   34 16:34:51      -17.789683         0.000179
BFGS:   35 16:34:51      -17.789683         0.000061
BFGS:   36 16:34:51      -17.789683         0.000007
BFGS:   37 16:34:51      -17.789683         0.000001
BFGS:   38 16:34:51      -17.789683         0.000000
BFGS:   39 16:34:51      -17.789683         0.000000
Minimization converged after 39 steps.
Maximum force component: 8.578647215660892e-11 eV/Angstrom
Maximum stress component: 7.266242501676467e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd']
basis =  [[0.00000000e+00 2.50000000e-01 5.28445172e-01]
 [0.00000000e+00 7.50000000e-01 4.71554828e-01]
 [5.00000000e-01 7.50000000e-01 2.84451719e-02]
 [5.00000000e-01 2.50000000e-01 9.71554828e-01]
 [3.41168868e-38 9.69773887e-01 8.34838665e-01]
 [0.00000000e+00 5.30226113e-01 8.34838665e-01]
 [1.30647831e-37 4.69773887e-01 1.65161335e-01]
 [0.00000000e+00 3.02261129e-02 1.65161335e-01]
 [5.00000000e-01 4.69773887e-01 3.34838665e-01]
 [5.00000000e-01 3.02261129e-02 3.34838665e-01]
 [5.00000000e-01 9.69773887e-01 6.65161335e-01]
 [5.00000000e-01 5.30226113e-01 6.65161335e-01]]
cellpar =  Cell([[5.006711310851598, -2.4792037902768053e-37, -6.347661126489531e-85], [-8.049404802528657e-39, 7.134659944488036, -1.0947929328358344e-48], [3.3146190062454076e-100, -2.2390789119632776e-47, 8.740616912158629]])
forces =  [[ 3.25319682e-111 -2.19758723e-058  8.57864722e-011]
 [ 4.96082872e-071 -4.39707367e-032 -8.57864722e-011]
 [-9.92165744e-071  8.79414735e-032  8.57864722e-011]
 [ 9.92165744e-071 -8.79414735e-032 -8.57864722e-011]
 [-6.30277641e-050  5.58652068e-011  1.91718354e-011]
 [ 6.30277641e-050 -5.58652068e-011  1.91718354e-011]
 [-6.30277641e-050  5.58652068e-011 -1.91718354e-011]
 [ 6.30277641e-050 -5.58652068e-011 -1.91718354e-011]
 [-6.30277641e-050  5.58652068e-011  1.91718354e-011]
 [ 6.30277641e-050 -5.58652068e-011  1.91718354e-011]
 [-6.30277641e-050  5.58652068e-011 -1.91718354e-011]
 [ 6.30277641e-050 -5.58652068e-011 -1.91718354e-011]]
stress =  [ 7.26624250e-12  1.07377974e-12 -9.57683540e-13  5.26218928e-60
  1.46984631e-98  5.73778951e-51]
energy per atom =  -1.5821860370444822
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0