14 lines
666 B
Plaintext
14 lines
666 B
Plaintext
# meam data UNITS: metal
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# elt lat z ielement atwt
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# alpha b0 b1 b2 b3 alat esub asub
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# t0 t1 t2 t3 rozero ibar
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'Fe' 'bcc' 8 1 55.847
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5.1571615396 4.15 1.00 1.00 1.00 2.8636573352 4.29 0.56
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1 2.60 1.80 -7.20 1.00 3
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'Ti' 'hcp' 12 1 47.880
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4.7194566335 2.70 1.00 3.00 1.00 2.9200000000 4.87 0.66
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1 6.80 -2.00 -12.00 1.00 3
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'C' 'dia' 4 1 12.011
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4.3651999166 4.25 2.80 2.00 5.00 3.5564776582 7.37 1.18
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1 3.20 1.44 -4.48 6.00 3
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