in.sic_liquid

# amorphous Si-C system

units		real
potential	meam input/meamf input/meam.sic

timestep	0.001
lattice		fcc 4.36
neighbor	0.3 10
periodicity	1 1 1

# memory
extra memory	2.0 4.0 5.0 3.0

# outputs
thermo		5
snapshot	10 ensight

# box 
create box	-1.37614678899 1.36979851391 -1.37614678899 1.36979851391 -1.37614678899 1.36979851391 

# read in atoms from file
read atoms	input/snap.sic_liquid

# run
run		100

meamf

Click on this link to view the contents of the meamf file. To download the file, right click and select "Save Link As..." Note: by default this file will be saved as "WARP_meamf.txt" - please rename it to "meamf" to match the WARP input deck above.

meam.sic

&meacard
	neltypes = 2
	eltname(1) = 'Si'
	eltname(2) = 'C'
	lattce_meam(1,2) = 'dia'
	Ec_meam(1,2) = 6.4325
	alpha_meam(1,2) = 4.37
	re_meam(1,2) = 1.8878
	rho0_meam(2) = 2.25
	rc_meam = 4.0
	delr_meam = 0.1
	Cmax_meam(1,2,1) = 4.0
	Cmax_meam(1,2,2) = 4.0
	Cmax_meam(2,2,1) = 4.0
	Cmax_meam(1,1,2) = 4.0
/

snap.sic_liquid

Click on this link to view the contents of the nialhjea file. To download the file, right click and select "Save Link As..." Note: by default this file will be saved as "WARP_snap.sic_liquid.txt" - please rename it to "snap.sic_liquid" to match the WARP input deck above.