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sample:
model:
origin: refnx example
stack: Si | LL | rLL | solvent
sub_stacks:
LL:
sub_stack_class: LipidLeaflet
apm: 56.0
b_heads: 6.01e-4
vm_heads: 319.0
b_tails: -2.92e-4
vm_tails: 782.0
thickness_heads: 9.0
head_solvent: solvent
tail_solvent: solvent
thickness: 23.0
comment: Shows the equivalence of using Value or float for apm/vm_heads/vm_tails
rLL:
sub_stack_class: LipidLeaflet
apm: {magnitude: 56.0, unit: Angstrom^2}
b_heads: 6.01e-4
vm_heads: {magnitude: 319.0, unit: Angstrom^3}
b_tails: -2.92e-4
vm_tails: {magnitude: 782.0, unit: Angstrom^3}
thickness_heads: 9.0
head_solvent: solvent
tail_solvent: solvent
thickness: 23.0
reverse_monolayer: true
composits:
solvent:
composition:
H2O: 0.3
D2O: 0.7
globals:
length_unit: angstrom
roughness: {magnitude: 3.0, unit: angstrom}
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