element(s):
['C', 'Pt']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7993']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.7993, 0, 0], [0, 2.7993, 0], [0, 0, 2.7993]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:11      -42.908911        29.558882
BFGS:    1 11:23:11      -47.381254        29.791156
BFGS:    2 11:23:11      -51.742172        27.880830
BFGS:    3 11:23:11      -55.554093        22.213921
BFGS:    4 11:23:11      -58.098152        10.374055
BFGS:    5 11:23:11      -58.320591         8.640412
BFGS:    6 11:23:11      -58.530291         1.235383
BFGS:    7 11:23:11      -58.535384         0.122565
BFGS:    8 11:23:11      -58.535434         0.002022
BFGS:    9 11:23:11      -58.535434         0.000003
BFGS:   10 11:23:11      -58.535434         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.872824889782114e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.4820521942356337, -2.1434293133051593e-32, -3.760734359484584e-33], [-1.591524915576572e-32, 2.4820521942356346, 1.7039807376701037e-17], [2.1129570171797384e-33, 1.7039807376701025e-17, 2.4820521942356337]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.87282489e-12  9.87282489e-12  9.87282489e-12 -5.47462161e-28
 -4.00155357e-33  1.35454906e-49]
energy per atom =  -29.26771676283293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0