forked from lijiext/lammps
214 lines
4.1 KiB
Plaintext
214 lines
4.1 KiB
Plaintext
&maincard
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ntypes=4
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perub={n1*a-0.5},{n2*a-0.5},{n3*a/cos(3.14159265/180.0*theta)-0.5}
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perlb=-0.5,-0.5,-0.5
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ilatseed=0
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amass={amass1},{amass2},{amass3},{amass4},{amass5}
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ielement={ielement1},{ielement2},{ielement3},{ielement4},{ielement5}
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&end
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&latcard
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lattype='sc'
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alat={a},{a},{a/cos(3.14159265/180.0*theta)}
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xrot=1.0 0.0 0.0
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yrot=0.0 1.0 0.0
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zrot=0.0,0.0,1.0
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xbound=-0.5,{n1*a-0.5}
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ybound=-0.5,{n2*a-0.5}
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zbound=-0.5,{n3*a/cos(3.14159265/180.0*theta)-0.5}
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periodicity=1.0,1.0,1.0
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strain=0.0,0.0,0.0
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delx=0.0,0.0,0.0
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&end
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&subcard
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rcell=0.250000,0.250000,0.250000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.000000,0.000000,0.000000
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ccell=0.0,1.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.250000,{0.5*tan(3.14159265/180.0*theta)},0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={1.0-0.5*tan(3.14159265/180.0*theta)},0.250000,0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.000000,0.000000,0.250000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.750000,0.250000,0.250000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.500000,0.000000,0.000000
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ccell=0.0,0.0,1.0,0.0,0.0
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&end
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&subcard
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rcell=0.750000,{1.0-0.5*tan(3.14159265/180.0*theta)},0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5+0.5*tan(3.14159265/180.0*theta)},0.250000,0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.500000,0.000000,0.250000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.750000,0.750000,0.250000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.500000,0.500000,0.000000
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ccell=0.0,1.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.750000,{0.5+0.5*tan(3.14159265/180.0*theta)},0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5-0.5*tan(3.14159265/180.0*theta)},0.750000,0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.500000,0.500000,0.250000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.250000,0.750000,0.250000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.000000,0.500000,0.000000
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ccell=0.0,0.0,1.0,0.0,0.0
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&end
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&subcard
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rcell=0.250000,{0.5-0.5*tan(3.14159265/180.0*theta)},0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5*tan(3.14159265/180.0*theta)},0.750000,0.000000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.000000,0.500000,0.250000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.250000,0.250000,0.750000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.000000,0.000000,0.500000
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ccell=0.0,0.0,1.0,0.0,0.0
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&end
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&subcard
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rcell=0.250000,{0.5*tan(3.14159265/180.0*theta)},0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={1.0-0.5*tan(3.14159265/180.0*theta)},0.250000,0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.000000,0.000000,0.750000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.750000,0.250000,0.750000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.500000,0.000000,0.500000
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ccell=0.0,1.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.750000,{1.0-0.5*tan(3.14159265/180.0*theta)},0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5+0.5*tan(3.14159265/180.0*theta)},0.250000,0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.500000,0.000000,0.750000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.750000,0.750000,0.750000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.500000,0.500000,0.500000
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ccell=0.0,0.0,1.0,0.0,0.0
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&end
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&subcard
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rcell=0.750000,{0.5+0.5*tan(3.14159265/180.0*theta)},0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5-0.5*tan(3.14159265/180.0*theta)},0.750000,0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.500000,0.500000,0.750000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.250000,0.750000,0.750000
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ccell=1.0,0.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.000000,0.500000,0.500000
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ccell=0.0,1.0,0.0,0.0,0.0
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&end
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&subcard
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rcell=0.250000,{0.5-0.5*tan(3.14159265/180.0*theta)},0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell={0.5*tan(3.14159265/180.0*theta)},0.750000,0.500000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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rcell=0.000000,0.500000,0.750000
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ccell=0.0,0.0,0.0,1.0,0.0
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&end
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&subcard
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&end
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&defcard
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&end
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&latcard
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&end
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&hitcard
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&end
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&disturbcard
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dismax=0.0
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strain=0.0,0.0,0.0
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&end
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&shiftcard
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mode=0
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&end
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&velcard
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&end
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&filecard
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dynamo="none"
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paradyn="none"
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lammps="r0.lmp"
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xyz="none"
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&end
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