element(s):
['Ca']
AFLOW prototype label:
A_oC2_65_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7599', '1.719966', '0.92776404']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  65
cell =  [[3.7599, 0, 0], [0, 6.4669, 0], [0, 0, 3.4883]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:39:59       -1.779922         0.355211
BFGS:    1 09:39:59       -1.781937         0.343427
BFGS:    2 09:39:59       -1.793309         0.222277
BFGS:    3 09:39:59       -1.794213         0.264510
BFGS:    4 09:39:59       -1.795478         0.549479
BFGS:    5 09:39:59       -1.798251         0.403685
BFGS:    6 09:39:59       -1.799589         0.429658
BFGS:    7 09:39:59       -1.802357         0.665066
BFGS:    8 09:39:59       -1.806965         0.496961
BFGS:    9 09:39:59       -1.826036         0.488056
BFGS:   10 09:39:59       -1.850680         0.426128
BFGS:   11 09:39:59       -1.868660         0.417319
BFGS:   12 09:39:59       -1.866287         0.881730
BFGS:   13 09:39:59       -1.876692         0.607921
BFGS:   14 09:39:59       -1.880924         0.680866
BFGS:   15 09:39:59       -1.900806         1.299535
BFGS:   16 09:39:59       -1.961280         1.050979
BFGS:   17 09:39:59       -1.999704         0.514336
BFGS:   18 09:39:59       -2.014131         0.268199
BFGS:   19 09:39:59       -2.019385         0.120482
BFGS:   20 09:39:59       -2.020576         0.079597
BFGS:   21 09:39:59       -2.020777         0.026205
BFGS:   22 09:39:59       -2.020795         0.009856
BFGS:   23 09:39:59       -2.020796         0.002469
BFGS:   24 09:40:00       -2.020797         0.001011
BFGS:   25 09:40:00       -2.020797         0.000053
BFGS:   26 09:40:00       -2.020797         0.000007
BFGS:   27 09:40:00       -2.020797         0.000000
BFGS:   28 09:40:00       -2.020797         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.4188513408443e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.292483920964291, -2.904433924979196e-35, 0.0], [-1.9402278571382664e-35, 5.702872189988953, 0.0], [0.0, 0.0, 3.476057912901271]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.86125017e-11  1.03960884e-12 -5.41885134e-11  0.00000000e+00
  0.00000000e+00  5.70802637e-47]
energy per atom =  -0.6263118289223326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0