forked from lijiext/lammps
15 lines
720 B
Plaintext
15 lines
720 B
Plaintext
# DATE: 2018-09-22 UNITS: metal CONTRIBUTOR: Steve Valone, smv@lanl.gov CITATION: Baskes, PRB 1992; smv, sr, mib, JNM 2010
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# ms-meam data format May 2010
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# elt lat z ielement atwt
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# alpha b0 b1 b2 b3 b1m b2m b3m alat esub asub
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# - t0 t1 t2 t3 t1m t2m t3m rozero ibar
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# NOTE: leading character cannot be a space
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'H' 'dim' 1.0 1 1.0079
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2.960 2.960 3.0 1.0 1.0 1.0 3.0 1.0 0.741 2.235 2.50
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1.0 0.44721 0.0 0.00 0.0 0.31623 0 6.70 0
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'Ga4' 'fcc' 12.0 31 69.723
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4.42 4.80 3.10 6.00 0.00 0.0 0.0 0.5 4.247 2.897 0.97
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1.0 1.649 1.435 0.00 0.0 0.0 2.0 0.70 0
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