| [ | |
| { | |
| "ID": "TT_2504fdea", | |
| "term": "Isoenthalpic–Isobaric Ensemble", | |
| "types": [ | |
| "Statistical Ensemble" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_cdc0ba60", | |
| "term": "Grand Canonical Ensemble", | |
| "types": [ | |
| "Statistical Ensemble" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_f93a8fff", | |
| "term": "Microcanonical Ensemble", | |
| "types": [ | |
| "Statistical Ensemble" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_daf8ee77", | |
| "term": "Isothermal–Isobaric Ensemble", | |
| "types": [ | |
| "Statistical Ensemble" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_aef7a5db", | |
| "term": "Canonical Ensemble", | |
| "types": [ | |
| "Statistical Ensemble" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_e509a750", | |
| "term": "Cell Shape Relaxation", | |
| "types": [ | |
| "Relaxation Degrees of Freedom" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_78c1f340", | |
| "term": "Cell Volume Relaxation", | |
| "types": [ | |
| "Relaxation Degrees of Freedom" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_7a09956f", | |
| "term": "Atomic Position Relaxation", | |
| "types": [ | |
| "Relaxation Degrees of Freedom" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_fd176099", | |
| "term": "Gamma-Centered KPoint Mesh", | |
| "types": [ | |
| "KPoint Mesh" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_43fe1bb3", | |
| "term": "Monkhorst Pack KPoint Mesh", | |
| "types": [ | |
| "KPoint Mesh" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_7aede6af", | |
| "term": "Explicit KPoint Mesh", | |
| "types": [ | |
| "KPoint Mesh" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_f604bc3e", | |
| "term": "Periodicity in Z-direction", | |
| "types": [ | |
| "Periodic Boundary Condition" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_b99f244b", | |
| "term": "Periodicity in Y-direction", | |
| "types": [ | |
| "Periodic Boundary Condition" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_f34d27f9", | |
| "term": "Periodicity in X-direction", | |
| "types": [ | |
| "Periodic Boundary Condition" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_ebd28165", | |
| "term": "Murnaghan", | |
| "types": [ | |
| "Equation of State Fit" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_e28001ee", | |
| "term": "Third-order polynomial fit", | |
| "types": [ | |
| "Equation of State Fit" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_fcf2001e", | |
| "term": "Vinet", | |
| "types": [ | |
| "Equation of State Fit" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_5018f077", | |
| "term": "Birch-Murnaghan", | |
| "types": [ | |
| "Equation of State Fit" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_e00bee3b", | |
| "term": "Substitute Atom", | |
| "types": [ | |
| "Point Defect Creation" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_2c8282ff", | |
| "term": "Delete Atom", | |
| "types": [ | |
| "Point Defect Creation" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_93ef1224", | |
| "term": "Add Atom", | |
| "types": [ | |
| "Point Defect Creation" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_ed6d2f95", | |
| "term": "Langevin", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_8fa813ba", | |
| "term": "Berendsen Thermostat", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_f4bbbf44", | |
| "term": "Nose-Hoover", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_475d8a34", | |
| "term": "Velocity Rescaling", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_3a572871", | |
| "term": "Andersen Thermostat", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_1af94a11", | |
| "term": "Bussi-Donadio-Parrinello", | |
| "types": [ | |
| "Thermostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_875f9ae7", | |
| "term": "Parrinello-Rahman", | |
| "types": [ | |
| "Barostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_b1fa7c3a", | |
| "term": "Berendsen Barostat", | |
| "types": [ | |
| "Barostat" | |
| ] | |
| }, | |
| { | |
| "ID": "TT_692631f5", | |
| "term": "Andersen Barostat", | |
| "types": [ | |
| "Barostat" | |
| ] | |
| } | |
| ] |