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xx_inp10
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29.489114451296 0.000000000000 0.000000000000
0.000000000000 10.379226960000 0.000000000000
0.000000000000 0.000000000000 10.379226960000
192 64 64 NR1 NR2 NR3
60 4.0 4 ECUT DUAL IXC(1=LDA,2=GGA)
4 320 16 1 NSP NEL NKPT
160
160*2.0
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2 4 10.0 1.6 0.3 6.0 1 2 0 0 1024 16 'Ba' 0.0
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