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Si2
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1.0
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- 3.840198 0.000000 0.000000
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- 1.920099 3.325710 0.000000
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- 0.000000 -2.217138 3.135509
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+ 3.8401979336999998 0.0000000000000000 0.0000000000000000
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+ 1.9200989667999999 3.3257101909000002 0.0000000000000000
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+ 0.0000000000000000 -2.2171384942999999 3.1355090603000000
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Si
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2
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direct
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- 0.000000 0.000000 0.000000 Si
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- 0.750000 0.500000 0.750000 Si
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+ 0.0000000000000000 0.0000000000000000 0.0000000000000000 Si
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+ 0.7500000000000000 0.5000000000000000 0.7500000000000000 Si
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import os
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+ from turtle import pos
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import unittest
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from pymatgen .core import IStructure , Lattice
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custodian == 2022.5.26
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FireWorks == 2.0.3
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- maggma == 0.44.0
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- monty == 2021.6.10
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- networkx == 2.5.1
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- numpy
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- pandas == 1.2.5
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- paramiko == 2.10.1
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- pydash == 5.0.0
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- pymatgen-analysis-diffusion
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- pymatgen
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- pymongo
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- pyyaml == 5.4.1
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- ruamel.yaml == 0.17.9
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- scipy == 1.7.2
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- tqdm == 4.61.1
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+ maggma == 0.48.1
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+ monty == 2022.9.9
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+ networkx == 2.8.6
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+ numpy == 1.23.3
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+ pandas == 1.4.4
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+ paramiko == 2.11.0
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+ pydash == 5.1.0
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+ pymatgen-analysis-diffusion == 2022.7.21
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+ pymatgen == 2022.9.8
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+ pymongo == 4.2.0
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+ ruamel.yaml == 0.17.21
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+ scipy == 1.9.1
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+ tqdm == 4.64.1
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