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:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
==== 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 16:38:31      -23.049506         0.621904
BFGS:    1 16:38:31      -23.063896         0.456997
BFGS:    2 16:38:31      -23.079933         0.030351
BFGS:    3 16:38:31      -23.080000         0.001345
BFGS:    4 16:38:31      -23.080000         0.000004
BFGS:    5 16:38:31      -23.080000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.019402429713006e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.92046216e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9173715524215864, 4.0561268145281187e-33, 1.9447866166654134e-32], [5.250806302545627e-33, 3.9173715524215864, 6.956330549954187e-21], [-1.4018076289842353e-33, 6.956330549972138e-21, 3.9173715524215864]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.01940243e-11 -3.01940243e-11 -3.01940243e-11  7.99797439e-27
 -1.67336119e-35  4.60498723e-51]
energy per atom =  -5.770000000963475
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0