element(s):
['Mo', 'Pt']
AFLOW prototype label:
A3B_cP8_223_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0229']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Pt']
representative atom coordinates =  [[0.25 0.   0.5 ]
 [0.   0.   0.  ]]
spacegroup =  223
cell =  [[5.0229, 0, 0], [0, 5.0229, 0], [0, 0, 5.0229]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:54      -50.273653         1.463489
BFGS:    1 16:15:54      -50.361758         1.344969
BFGS:    2 16:15:54      -50.552630         1.324048
BFGS:    3 16:15:54      -50.724113         0.884261
BFGS:    4 16:15:55      -50.814860         0.343976
BFGS:    5 16:15:55      -50.833683         0.055268
BFGS:    6 16:15:55      -50.834211         0.002550
BFGS:    7 16:15:55      -50.834212         0.000008
BFGS:    8 16:15:55      -50.834212         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.019571412684289e-31 eV/Angstrom
Maximum stress component: 4.735227406639922e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Pt', 'Pt']
basis =  [[2.50000000e-01 7.87444462e-35 5.00000000e-01]
 [7.50000000e-01 7.87444462e-35 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 8.84129108e-17]
 [5.00000000e-01 7.50000000e-01 8.84129108e-17]
 [4.42064554e-17 5.00000000e-01 2.50000000e-01]
 [4.42064554e-17 5.00000000e-01 7.50000000e-01]
 [4.42064554e-17 0.00000000e+00 8.84129108e-17]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.891595629391492, -5.139910046409593e-33, 3.354563767449541e-33], [-4.6696653882831806e-33, 4.891595629391492, 2.645207213690975e-18], [-3.505186209360556e-33, 2.645207213690981e-18, 4.891595629391492]])
forces =  [[ 8.03914283e-32  8.03914283e-32  4.34729283e-50]
 [ 4.01957141e-31  2.17364641e-50  4.01957141e-32]
 [ 1.00489285e-32 -3.91908213e-31  8.03914283e-32]
 [ 8.16475443e-33 -3.96932677e-31 -2.14647583e-49]
 [ 1.00489285e-32 -2.11930525e-49 -3.91908213e-31]
 [-1.25611607e-32  3.01467856e-32 -4.01957141e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.73522741e-11  4.73522741e-11  4.73522741e-11 -2.98367618e-29
 -1.28783247e-34 -3.04415391e-53]
energy per atom =  -6.354276494417207
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0