element(s):
['Pt']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.949']
model name:
EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:37      -22.004903         0.482284
BFGS:    1 15:27:37      -22.013557         0.355540
BFGS:    2 15:27:37      -22.024166         0.013751
BFGS:    3 15:27:37      -22.024183         0.000416
BFGS:    4 15:27:37      -22.024183         0.000001
BFGS:    5 15:27:37      -22.024183         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2064292295498416e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.44207167e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.02767826e-36]]
cellpar =  Cell([[3.975674135486132, -1.317811694596857e-32, 1.932865498984905e-33], [-1.9118988053908729e-32, 3.975674135486132, 1.6674120137030505e-19], [-8.249416811760046e-33, 1.6674120137031254e-19, 3.975674135486132]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.20642923e-12 -1.20642923e-12 -1.20642923e-12  1.34875951e-28
  1.70954281e-61  1.04538724e-60]
energy per atom =  -5.506045706215634
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0