Core-shell LAMMPS data with labels 24 atoms 4 atom types 12 bonds 2 bond types 0.0 6.0190000000000001 xlo xhi 0.0 3.6410999999999998 ylo yhi 0.0 7.0765000000000002 zlo zhi Atom Type Labels 1 CaC 2 CaS 3 FC 4 FS Bond Type Labels 1 FC-FS 2 CaC-CaS Atoms # full 1 0 CaC 0.0 4.5092771623900001 0.91027499999999995 6.3263431628600006 2 0 CaC 0.0 4.5192228376100001 2.7308249999999998 2.7880931628599996 3 0 CaC 0.0 1.5097228376099998 2.7308249999999998 0.75015683713999992 4 0 CaC 0.0 1.4997771623900003 0.91027499999999995 4.2884068371400001 5 0 FC 0.0 0.85311018779999992 0.91027499999999995 6.5311662988050001 6 0 FC 0.0 2.1563898122 2.7308249999999998 2.9929162988050009 7 0 FC 0.0 5.1658898122000005 2.7308249999999998 0.54533370119500013 8 0 FC 0.0 3.8626101878000001 0.91027499999999995 4.0835837011950007 9 0 FC 0.0 3.1049922776600005 0.91027499999999995 1.1412904896750002 10 0 FC 0.0 5.9235077223400001 2.7308249999999998 4.6795404896750004 11 0 FC 0.0 2.9140077223399996 2.7308249999999998 5.9352095103249995 12 0 FC 0.0 0.095492277660000333 0.91027499999999995 2.3969595103249999 13 0 CaS 0.0 4.5092771623900001 0.91027499999999995 6.3263431628600006 14 0 CaS 0.0 4.5192228376100001 2.7308249999999998 2.7880931628599996 15 0 CaS 0.0 1.5097228376099998 2.7308249999999998 0.75015683713999992 16 0 CaS 0.0 1.4997771623900003 0.91027499999999995 4.2884068371400001 17 0 FS 0.0 0.85311018779999992 0.91027499999999995 6.5311662988050001 18 0 FS 0.0 2.1563898122 2.7308249999999998 2.9929162988050009 19 0 FS 0.0 5.1658898122000005 2.7308249999999998 0.54533370119500013 20 0 FS 0.0 3.8626101878000001 0.91027499999999995 4.0835837011950007 21 0 FS 0.0 3.1049922776600005 0.91027499999999995 1.1412904896750002 22 0 FS 0.0 5.9235077223400001 2.7308249999999998 4.6795404896750004 23 0 FS 0.0 2.9140077223399996 2.7308249999999998 5.9352095103249995 24 0 FS 0.0 0.095492277660000333 0.91027499999999995 2.3969595103249999 Bonds 1 CaC-CaS 1 13 2 CaC-CaS 2 14 3 CaC-CaS 3 15 4 CaC-CaS 4 16 5 FC-FS 5 17 6 FC-FS 6 18 7 FC-FS 7 19 8 FC-FS 8 20 9 FC-FS 9 21 10 FC-FS 10 22 11 FC-FS 11 23 12 FC-FS 12 24