Extended KIM ID Title
binary_alloy_elastic_constant__TD_601231739727_000 Elastic constants of cubic binary alloys
ClusterEnergyAndForces__TD_000043093022_002 Conjugate gradient relaxation of atomic cluster v002
CohesiveEnergyVsLatticeConstant__TD_554653289799_002 Cohesive energy versus lattice constant curve for monoatomic cubic lattices v002
ElasticConstantsCubic__TD_011862047401_005 Elastic constants for cubic crystals at zero temperature and pressure v005
ElasticConstantsFirstStrainGradient__TD_361847723785_000 Classical and first strain gradient elastic constants for simple lattices
ElasticConstantsHexagonal__TD_612503193866_003 Elastic constants for hexagonal crystals at zero temperature v003
Grain_Boundary_Symmetric_Tilt_Relaxed_Energy_vs_Angle_Cubic_Crystal__TD_410381120771_000 The relaxed energy as a function of tilt angle for a symmetric tilt grain boundary within a cubic crystal
LammpsExample2__TD_887699523131_002 LammpsExample2: energy-volume curve for monoatomic cubic lattice
LammpsExample__TD_567444853524_004 LammpsExample: cohesive energy and equilibrium lattice constant of fcc argon
LatticeConstant2DHexagonalEnergy__TD_034540307932_001 Cohesive energy and equilibrium lattice constant of hexagonal 2D crystalline layers v001
LatticeConstantCubicEnergy__TD_475411767977_006 Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v006
LatticeConstantHexagonalEnergy__TD_942334626465_004 Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v004
LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001 Cohesive energy versus shear parameter relation for a cubic crystal
LinearThermalExpansionCoeffCubic__TD_522633393614_000 Linear thermal expansion coefficient of a cubic crystal structure at a given temperature and pressure v000
PhononDispersionCurve__TD_530195868545_003 Phonon dispersion relations for an fcc lattice v003
StackingFaultFccCrystal__TD_228501831190_001 Stacking and twinning fault energies of an fcc lattice at zero temperature and pressure v001
SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_003 High-symmetry surface energies in cubic lattices and broken bond model v003
TriclinicPBCEnergyAndForces__TD_892847239811_002 Potential energy and atomic forces of periodic, non-orthogonal cell of atoms v002
VacancyFormationEnergyRelaxationVolume__TD_647413317626_000 Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals
VacancyFormationMigration__TD_554849987965_000 Vacancy formation and migration energies for cubic and hcp monoatomic crystals