../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca H O Si
A4B2C11D3_oC160_40_2a2b2c_2bc_2b10c_3c
a b/a c/a z1 z2 y3 z3 y4 z4 y5 z5 y6 z6 y7 z7 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 x13 y13 z13 x14 y14 z14 x15 y15 z15 x16 y16 z16 x17 y17 z17 x18 y18 z18 x19 y19 z19 x20 y20 z20 x21 y21 z21 x22 y22 z22 x23 y23 z23 x24 y24 z24
standard
1
20.7505 0.50509626 0.44380617 0.37942667 0.78739139 0.88963538 0.26951641 0.66260155 0.54633764 0.98819337 0.78771117 0.045955259 0.53274724 0.95388268 0.51657668 0.98290451 0.89336796 0.36296868 0.90510028 0.56173836 0.35352169 0.40095184 0.44013226 0.35128739 0.15957295 0.51602588 0.44726846 0.11851224 0.16703903 0.33170272 0.2185833 0.59460089 0.3878413 0.067748638 0.40705511 0.32656071 0.018266597 0.1521098 0.32947064 0.7578677 0.37914778 0.33866371 0.75722335 0.73490962 0.38964177 0.046295614 0.76341842 0.44151591 0.78121975 0.23213813 0.46351481 0.35441237 0.4572244 0.47471546 0.85764997 0.57154484 0.37323924 0.11769023 0.24173135 0.49618991 0.28606074 0.59534554 0.37358292 0.19772832 0.750556
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000