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 09:47:38       -3.085939         0.050065
BFGS:    1 09:47:38       -3.086015         0.049775
BFGS:    2 09:47:38       -3.090006         0.031021
BFGS:    3 09:47:38       -3.091418         0.050511
BFGS:    4 09:47:38       -3.091460         0.050450
BFGS:    5 09:47:38       -3.094178         0.042524
BFGS:    6 09:47:38       -3.096530         0.043072
BFGS:    7 09:47:38       -3.098171         0.056685
BFGS:    8 09:47:38       -3.099139         0.067992
BFGS:    9 09:47:38       -3.099844         0.073193
BFGS:   10 09:47:38       -3.101269         0.075806
BFGS:   11 09:47:38       -3.103177         0.069351
BFGS:   12 09:47:38       -3.105662         0.055872
BFGS:   13 09:47:38       -3.107598         0.035038
BFGS:   14 09:47:38       -3.108689         0.008865
BFGS:   15 09:47:38       -3.108769         0.002007
BFGS:   16 09:47:38       -3.108770         0.001940
BFGS:   17 09:47:38       -3.108770         0.001926
BFGS:   18 09:47:38       -3.108773         0.001854
BFGS:   19 09:47:38       -3.108778         0.002445
BFGS:   20 09:47:38       -3.108794         0.004174
BFGS:   21 09:47:38       -3.108835         0.007550
BFGS:   22 09:47:38       -3.108933         0.012924
BFGS:   23 09:47:38       -3.109031         0.015084
BFGS:   24 09:47:38       -3.109119         0.013522
BFGS:   25 09:47:38       -3.109174         0.008184
BFGS:   26 09:47:38       -3.109178         0.006655
BFGS:   27 09:47:38       -3.109183         0.006640
BFGS:   28 09:47:38       -3.109198         0.007280
BFGS:   29 09:47:38       -3.109229         0.006585
BFGS:   30 09:47:38       -3.109275         0.006995
BFGS:   31 09:47:38       -3.109310         0.008413
BFGS:   32 09:47:38       -3.109324         0.006658
BFGS:   33 09:47:38       -3.109328         0.006075
BFGS:   34 09:47:38       -3.109331         0.006321
BFGS:   35 09:47:38       -3.109341         0.006586
BFGS:   36 09:47:38       -3.109361         0.006617
BFGS:   37 09:47:38       -3.109404         0.005955
BFGS:   38 09:47:38       -3.109464         0.006872
BFGS:   39 09:47:38       -3.109512         0.005539
BFGS:   40 09:47:38       -3.109533         0.002010
BFGS:   41 09:47:38       -3.109536         0.000161
BFGS:   42 09:47:38       -3.109536         0.000027
BFGS:   43 09:47:38       -3.109536         0.000003
BFGS:   44 09:47:38       -3.109536         0.000002
BFGS:   45 09:47:38       -3.109536         0.000000
BFGS:   46 09:47:38       -3.109536         0.000000
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.