../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Ca O
A2BC4_mP14_11_2e_e_4e
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7
standard
1
7.1131 0.53544868 0.78888248 101.1618 0.87112371 0.84730624 0.88750945 0.34501078 0.42808559 0.73183642 0.69257092 0.058315623 0.69669848 0.54402602 0.074478595 0.64303463 0.07112235 0.14159998
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000