../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca O
A2BC4_hP42_173_2c_a2b_4c
a c/a z1 z2 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
1
8.8322 0.92905505 0.22543399 0.237367 0.80470281 0.027832008 0.34302316 0.54422361 0.68146777 0.020327607 0.43685783 0.73538731 0.12007287 0.24140582 0.90173736 0.44771302 0.51906445 0.88648135 0.11225179 0.53503528 0.2091736 0.4175276 0.41034086
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000