{ "kim-api-sm-schema-version" 1 "simulator-name" "LAMMPS" "simulator-version" "28 Mar 2023 - Update 1" "units" "real" "model-init" ["atom_style full" "neigh_modify one 4000"] "model-defn" [ "bond_style harmonic" "angle_style charmm" "dihedral_style charmm" "improper_style harmonic" "variable sm_qflag atom q*q>0" "group sm_charged variable sm_qflag" "if $(count(sm_charged))==0 then \"pair_style lj/cut 12\" \"special_bonds lj 0 0 1\" elif ${kim_periodic}!=0 \"pair_style lj/cut/coul/long 12 12\" \"kspace_style pppm 1.0e-6\" else \"pair_style lj/cut/coul/cut 12 $(((lx+xy+xz)^2+(ly+yz)^2+(lz)^2)^(1/2))\"" "if $(count(sm_charged))>0 then \"special_bonds lj/coul 0 0 1\"" "if (${kim_periodic}==2)&&($(count(sm_charged))>0) then \"kspace_modify slab 3.0\"" "pair_modify mix arithmetic" "include @@" ] "model-name" "Sim_LAMMPS_IFF_CHARMM_GUI_HeinzLinMishra_2023_Nanomaterials__SM_232384752957_000" "supported-species" "IAY1 IAY2 IMY1 IHOK IHOY IOY1 IOY2 IOY3 IOY4 IOY5 IOY6 IOY7 IOY8 IOY9 ISY1 ISY2 IAYT1 IAYT2 IK_CM IAC1 IAC2 ISC1 ISC2 ISC3 ISC4 ICA_S ICA_A ICA_G ISCS IOCS IO_SC IH_SC ICA_H ICA_E ICA_T IOC1 IOC2 IOC3 IOC4 IOC5 IOC6 IOC7 IOC8 IOC9 IOC10 IOC11 IOC12 IOC13 IOC14 IS_AN IO2_SC IHOC IH1O IOC23 IOC24 IPAP IOAP1 IOAP2 IHOP ICPEO IHPEO IOPEO ST IMO1 IMO2 ISM1 ISM2 ISM3 ISM4 ICG1 ICGE IAG IAL IAU AUL AUS AUD ICU INI IPB IPD IPT IAC ICA ICE IES IIR IFE IRH ISR ITH IYB ALO1 OAL1 CRO1 OCR1 FEO1 OFE1 CAO1 OCA1 MGO1 OMG1 NIO1 ONI1 CAO2 OCA2 NIO2 ONI2 MGO2 OMG2 IW1 IW2 ISW1 ISW2 ISW3 ISW4 LI COO OCO1 OCO2 H2G N2G O2G" }