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 16:38:22      -22.004903         0.482284
BFGS:    1 16:38:22      -22.013557         0.355540
BFGS:    2 16:38:22      -22.024166         0.013751
BFGS:    3 16:38:22      -22.024183         0.000416
BFGS:    4 16:38:22      -22.024183         0.000001
BFGS:    5 16:38:22      -22.024183         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.206429229549842e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.60517918e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.05535652e-36]]
cellpar =  Cell([[3.975674135486132, -1.8101942180939004e-33, 1.049156213598584e-33], [-3.617275243392397e-33, 3.975674135486132, 1.6674120137030608e-19], [7.7267498293858e-33, 1.6674120137029706e-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 -4.01300922e-29
 -7.60280652e-62 -1.75633511e-61]
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