element(s):
['Cs']
AFLOW prototype label:
A_oP4_62_c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.8341', '0.7224781', '0.50089071', '0.87502512', '0.74006122']
model name:
EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.87502512 0.25       0.74006122]]
spacegroup =  62
cell =  [[10.8341, 0, 0], [0, 7.8274, 0], [0, 0, 5.4267]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:04:26       -3.085939        0.0501
BFGS:    1 17:04:26       -3.086015        0.0498
BFGS:    2 17:04:26       -3.090006        0.0310
BFGS:    3 17:04:26       -3.091418        0.0505
BFGS:    4 17:04:26       -3.091460        0.0505
BFGS:    5 17:04:26       -3.094178        0.0425
BFGS:    6 17:04:26       -3.096530        0.0431
BFGS:    7 17:04:26       -3.098171        0.0567
BFGS:    8 17:04:26       -3.099139        0.0680
BFGS:    9 17:04:26       -3.099844        0.0732
BFGS:   10 17:04:26       -3.101269        0.0758
BFGS:   11 17:04:26       -3.103177        0.0694
BFGS:   12 17:04:26       -3.105662        0.0559
BFGS:   13 17:04:26       -3.107598        0.0350
BFGS:   14 17:04:26       -3.108689        0.0089
BFGS:   15 17:04:26       -3.108769        0.0020
BFGS:   16 17:04:26       -3.108770        0.0019
BFGS:   17 17:04:26       -3.108770        0.0019
BFGS:   18 17:04:26       -3.108773        0.0019
BFGS:   19 17:04:26       -3.108778        0.0024
BFGS:   20 17:04:26       -3.108794        0.0042
BFGS:   21 17:04:26       -3.108835        0.0076
BFGS:   22 17:04:26       -3.108933        0.0129
BFGS:   23 17:04:26       -3.109031        0.0151
BFGS:   24 17:04:26       -3.109119        0.0135
BFGS:   25 17:04:26       -3.109174        0.0082
BFGS:   26 17:04:26       -3.109178        0.0067
BFGS:   27 17:04:26       -3.109183        0.0066
BFGS:   28 17:04:26       -3.109198        0.0073
BFGS:   29 17:04:26       -3.109229        0.0066
BFGS:   30 17:04:26       -3.109275        0.0070
BFGS:   31 17:04:26       -3.109310        0.0084
BFGS:   32 17:04:26       -3.109324        0.0067
BFGS:   33 17:04:26       -3.109328        0.0061
BFGS:   34 17:04:26       -3.109331        0.0063
BFGS:   35 17:04:26       -3.109341        0.0066
BFGS:   36 17:04:26       -3.109361        0.0066
BFGS:   37 17:04:26       -3.109404        0.0060
BFGS:   38 17:04:26       -3.109464        0.0069
BFGS:   39 17:04:26       -3.109512        0.0055
BFGS:   40 17:04:26       -3.109533        0.0020
BFGS:   41 17:04:26       -3.109536        0.0002
BFGS:   42 17:04:26       -3.109536        0.0000
BFGS:   43 17:04:26       -3.109536        0.0000
BFGS:   44 17:04:26       -3.109536        0.0000
BFGS:   45 17:04:26       -3.109536        0.0000
BFGS:   46 17:04:26       -3.109536        0.0000
Minimization converged after 46 steps.
Maximum force component: 8.322910784402027e-10 eV/Angstrom
Maximum stress component: 6.772611656006061e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.875 0.25  0.75 ]
 [0.625 0.75  0.25 ]
 [0.125 0.75  0.25 ]
 [0.375 0.25  0.75 ]]
cellpar =  Cell([[10.142242189126655, -1.5255509153817437e-36, 0.0], [2.417136061082614e-35, 8.319231855811987, 0.0], [0.0, 0.0, 5.071121079925245]])
forces =  [[ 8.32291078e-10  1.28178062e-32  4.99173319e-10]
 [-8.32291078e-10  1.28178062e-32  4.99173319e-10]
 [-8.32291078e-10 -1.28178062e-32 -4.99173319e-10]
 [ 8.32291078e-10 -1.28178062e-32 -4.99173319e-10]]
stress =  [ 4.37537095e-11 -1.48323908e-11 -6.77261166e-11  0.00000000e+00
  0.00000000e+00 -1.56120817e-46]
energy per atom =  -0.7773839451923228
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_62_c, while relaxed is A_tI2_139_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.