Tests - by Models




Tests in the OpenKIM Repository

Each "test" is a specific property for a specific material system for a given material property class (e.g. the {111} surface energy of fcc Cu). Click for more information.

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DUNN_WenTadmor_2019v1_C__MO_584345505904_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_C__TE_381992859743_004 Cohesive energy versus lattice constant curve for bcc C v004 view
CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_004 Cohesive energy versus lattice constant curve for diamond C v004 view
CohesiveEnergyVsLatticeConstant_fcc_C__TE_004682584752_004 Cohesive energy versus lattice constant curve for fcc C v004 view
CohesiveEnergyVsLatticeConstant_sc_C__TE_095514597201_004 Cohesive energy versus lattice constant curve for sc C v004 view
ElasticConstantsCubic_bcc_C__TE_658794163909_006 Elastic constants for bcc C at zero temperature v006 view
ElasticConstantsCubic_fcc_C__TE_000146156270_006 Elastic constants for fcc C at zero temperature v006 view
ElasticConstantsCubic_sc_C__TE_994329625827_006 Elastic constants for sc C at zero temperature v006 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v000 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v001 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v002 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v000 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v001 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v002 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v000 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v001 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v002 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v000 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v001 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v002 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v000 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v001 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v002 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v000 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v001 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v002 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v000 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v001 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v002 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v000 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v001 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v002 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v000 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v001 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v002 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v000 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v001 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v002 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v000 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v001 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v002 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v000 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v001 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v002 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v000 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v001 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v002 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v000 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v001 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v002 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v000 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v001 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v002 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v000 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v001 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v002 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v000 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v001 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v002 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v000 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v001 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v002 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v001 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v002 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v000 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v001 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v002 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v000 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v001 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v002 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v001 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v002 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v000 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v001 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v002 view
LatticeConstantCubicEnergy_bcc_C__TE_035231992677_007 Equilibrium zero-temperature lattice constant for bcc C v007 view
LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007 Equilibrium zero-temperature lattice constant for diamond C v007 view
LatticeConstantCubicEnergy_fcc_C__TE_200775201868_007 Equilibrium zero-temperature lattice constant for fcc C v007 view
LatticeConstantCubicEnergy_sc_C__TE_515273288513_007 Equilibrium zero-temperature lattice constant for sc C v007 view
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_C__TE_381992859743_004 Cohesive energy versus lattice constant curve for bcc C v004 view
CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_004 Cohesive energy versus lattice constant curve for diamond C v004 view
CohesiveEnergyVsLatticeConstant_fcc_C__TE_004682584752_004 Cohesive energy versus lattice constant curve for fcc C v004 view
CohesiveEnergyVsLatticeConstant_sc_C__TE_095514597201_004 Cohesive energy versus lattice constant curve for sc C v004 view
ElasticConstantsCubic_bcc_C__TE_658794163909_006 Elastic constants for bcc C at zero temperature v006 view
ElasticConstantsCubic_diamond_C__TE_266299090062_001 Elastic constants for diamond C at zero temperature v001 view
ElasticConstantsCubic_fcc_C__TE_000146156270_006 Elastic constants for fcc C at zero temperature v006 view
ElasticConstantsCubic_sc_C__TE_994329625827_006 Elastic constants for sc C at zero temperature v006 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v000 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v001 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v002 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v000 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v001 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v002 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v000 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v001 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v002 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v000 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v001 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v002 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v000 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v001 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v002 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v000 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v001 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v002 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v000 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v001 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v002 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v000 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v001 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v002 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v000 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v001 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v002 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v000 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v001 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v002 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v000 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v001 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v002 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v000 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v001 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v002 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v000 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v001 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v002 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v000 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v001 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v002 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v000 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v001 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v002 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v000 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v001 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v002 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v000 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v001 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v002 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v000 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v001 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v002 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v000 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v001 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v002 view
EquilibriumCrystalStructure_A_hR60_166_2h4i_C__TE_757019917536_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR60_166_2h4i v001 view
EquilibriumCrystalStructure_A_hR60_166_2h4i_C__TE_757019917536_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR60_166_2h4i v002 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v000 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v001 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v002 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v000 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v001 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v002 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v000 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v001 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v002 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v001 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v002 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v000 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v001 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v002 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v000 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v001 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v002 view
LatticeConstantCubicEnergy_bcc_C__TE_035231992677_007 Equilibrium zero-temperature lattice constant for bcc C v007 view
LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007 Equilibrium zero-temperature lattice constant for diamond C v007 view
LatticeConstantCubicEnergy_fcc_C__TE_200775201868_007 Equilibrium zero-temperature lattice constant for fcc C v007 view
LatticeConstantCubicEnergy_sc_C__TE_515273288513_007 Equilibrium zero-temperature lattice constant for sc C v007 view
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_C__TE_381992859743_004 Cohesive energy versus lattice constant curve for bcc C v004 view
CohesiveEnergyVsLatticeConstant_diamond_C__TE_609752483801_004 Cohesive energy versus lattice constant curve for diamond C v004 view
CohesiveEnergyVsLatticeConstant_fcc_C__TE_004682584752_004 Cohesive energy versus lattice constant curve for fcc C v004 view
CohesiveEnergyVsLatticeConstant_sc_C__TE_095514597201_004 Cohesive energy versus lattice constant curve for sc C v004 view
ElasticConstantsCubic_bcc_C__TE_658794163909_006 Elastic constants for bcc C at zero temperature v006 view
ElasticConstantsCubic_fcc_C__TE_000146156270_006 Elastic constants for fcc C at zero temperature v006 view
ElasticConstantsCubic_sc_C__TE_994329625827_006 Elastic constants for sc C at zero temperature v006 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v001 view
EquilibriumCrystalStructure_A_cF16_227_c_C__TE_895977526516_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF16_227_c v002 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v000 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v001 view
EquilibriumCrystalStructure_A_cF240_202_h2i_C__TE_362666351855_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF240_202_h2i v002 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v000 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v001 view
EquilibriumCrystalStructure_A_cF8_227_a_C__TE_307953144667_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cF8_227_a v002 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v000 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v001 view
EquilibriumCrystalStructure_A_cI16_206_c_C__TE_920285683697_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_206_c v002 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v000 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v001 view
EquilibriumCrystalStructure_A_cI16_229_f_C__TE_387056888123_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI16_229_f v002 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v000 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v001 view
EquilibriumCrystalStructure_A_cI8_214_a_C__TE_761692555943_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cI8_214_a v002 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v000 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v001 view
EquilibriumCrystalStructure_A_cP1_221_a_C__TE_447051066978_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP1_221_a v002 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v000 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v001 view
EquilibriumCrystalStructure_A_cP20_221_gj_C__TE_965605943044_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_cP20_221_gj v002 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v000 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v001 view
EquilibriumCrystalStructure_A_hP12_194_bc2f_C__TE_326828152130_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_bc2f v002 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v000 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v001 view
EquilibriumCrystalStructure_A_hP12_194_e2f_C__TE_777111160000_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP12_194_e2f v002 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v000 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v001 view
EquilibriumCrystalStructure_A_hP16_194_e3f_C__TE_362815825734_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP16_194_e3f v002 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v000 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v001 view
EquilibriumCrystalStructure_A_hP2_191_c_C__TE_937519953396_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP2_191_c v002 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v000 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v001 view
EquilibriumCrystalStructure_A_hP4_194_bc_C__TE_355331973316_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_bc v002 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v000 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v001 view
EquilibriumCrystalStructure_A_hP4_194_f_C__TE_628136225723_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP4_194_f v002 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v000 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v001 view
EquilibriumCrystalStructure_A_hP8_194_ef_C__TE_889488665558_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hP8_194_ef v002 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v000 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v001 view
EquilibriumCrystalStructure_A_hR10_166_5c_C__TE_026880847665_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR10_166_5c v002 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v000 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v001 view
EquilibriumCrystalStructure_A_hR14_166_7c_C__TE_139121309488_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR14_166_7c v002 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v000 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v001 view
EquilibriumCrystalStructure_A_hR2_166_c_C__TE_228487204909_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR2_166_c v002 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v000 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v001 view
EquilibriumCrystalStructure_A_hR4_166_2c_C__TE_896322877990_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR4_166_2c v002 view
EquilibriumCrystalStructure_A_hR60_166_2h4i_C__TE_757019917536_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR60_166_2h4i v001 view
EquilibriumCrystalStructure_A_hR60_166_2h4i_C__TE_757019917536_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_hR60_166_2h4i v002 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v000 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v001 view
EquilibriumCrystalStructure_A_mC16_12_4i_C__TE_335671450529_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_mC16_12_4i v002 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v000 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v001 view
EquilibriumCrystalStructure_A_oC16_65_pq_C__TE_970978470247_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC16_65_pq v002 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v000 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v001 view
EquilibriumCrystalStructure_A_oC8_65_gh_C__TE_436280170049_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oC8_65_gh v002 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v001 view
EquilibriumCrystalStructure_A_oI120_71_lmn6o_C__TE_407657597689_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oI120_71_lmn6o v002 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v000 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v001 view
EquilibriumCrystalStructure_A_oP16_62_4c_C__TE_215009453476_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_oP16_62_4c v002 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_000 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v000 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_001 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v001 view
EquilibriumCrystalStructure_A_tI8_139_h_C__TE_939583133718_002 Equilibrium crystal structure and energy for C in AFLOW crystal prototype A_tI8_139_h v002 view
LatticeConstantCubicEnergy_bcc_C__TE_035231992677_007 Equilibrium zero-temperature lattice constant for bcc C v007 view
LatticeConstantCubicEnergy_diamond_C__TE_072855742236_007 Equilibrium zero-temperature lattice constant for diamond C v007 view
LatticeConstantCubicEnergy_fcc_C__TE_200775201868_007 Equilibrium zero-temperature lattice constant for fcc C v007 view
LatticeConstantCubicEnergy_sc_C__TE_515273288513_007 Equilibrium zero-temperature lattice constant for sc C v007 view
Dipole_Umeno_YSZ__MO_394669891912_001
Test Test Title Test Result
ElasticConstantsCubic_bcc_O__TE_703936613419_002 ElasticConstantsCubic_bcc_O view
ElasticConstantsCubic_bcc_Y__TE_434960316500_002 ElasticConstantsCubic_bcc_Y view
ElasticConstantsCubic_bcc_Zr__TE_286034503723_002 ElasticConstantsCubic_bcc_Zr view
ElasticConstantsCubic_fcc_O__TE_856088776494_002 ElasticConstantsCubic_fcc_O view
ElasticConstantsCubic_fcc_Y__TE_049819885043_002 ElasticConstantsCubic_fcc_Y view
ElasticConstantsCubic_sc_O__TE_538486289758_002 ElasticConstantsCubic_sc_O view
ElasticConstantsHexagonal_hcp_Y__TE_592572729749_001 ElasticConstantsHexagonal_hcp_Y view
ElasticConstantsHexagonal_hcp_Zr__TE_924023808720_001 ElasticConstantsHexagonal_hcp_Zr view
EAM_Angelo_Moody_Baskes_modified_by_Tehranchi_Curtin_Song_Ni_H__MO_535504325462_002
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_001 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_001 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_001 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_001 Cohesive energy versus lattice constant curve for sc Nickel view
ElasticConstantsCubic_bcc_H__TE_632848943374_003 Elastic constants for bcc H at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_003 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_fcc_H__TE_627409417266_003 Elastic constants for fcc H at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_003 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_sc_H__TE_648951261715_003 Elastic constants for sc H at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_003 Elastic constants for sc Ni at zero temperature view
ElasticConstantsHexagonal_hcp_H__TE_758877215376_002 Elastic constants for hcp H at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_002 Elastic constants for hcp Ni at zero temperature view
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_004 Equilibrium zero-temperature lattice constant for bcc H view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_004 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_004 Equilibrium zero-temperature lattice constant for diamond H view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_004 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_004 Equilibrium zero-temperature lattice constant for fcc H view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_004 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_sc_H__TE_478794314457_004 Equilibrium zero-temperature lattice constant for sc H view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_004 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantHexagonalEnergy_hcp_H__TE_510142503120_003 Equilibrium lattice constants for hcp H view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_003 Equilibrium lattice constants for hcp Ni view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_000 Linear thermal expansion coefficient of fcc Ni at room temperature under zero pressure view
PhononDispersionCurve_fcc_Ni__TE_948896757313_002 Phonon dispersion relations for fcc Ni view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_000 Stacking and twinning fault energies for fcc Ni view
SurfaceTest_fcc_Ni__TE_692192937218_002 Broken-bond fit of high-symmetry surface energies in fcc Ni view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_000 Vacancy formation and migration energy for fcc Ni view
EAM_CubicNaturalSpline_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_005 Elastic constants for bcc Ni at zero temperature v005 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_005 Elastic constants for fcc Ni at zero temperature v005 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_004 Elastic constants for sc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_005 Elastic constants for sc Ni at zero temperature v005 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_005 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_006 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_005 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_006 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_005 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_006 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_005 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_006 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_003 Phonon dispersion relations for fcc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_001 Stacking and twinning fault energies for fcc Ni view
EAM_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_001 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_001 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_001 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_001 Cohesive energy versus lattice constant curve for sc Nickel view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_003 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_003 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_003 Elastic constants for sc Ni at zero temperature view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_004 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_004 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_004 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_004 Equilibrium zero-temperature lattice constant for sc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_002 Phonon dispersion relations for fcc Ni view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_000 Stacking and twinning fault energies for fcc Ni view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000 Monovacancy formation energy and relaxation volume for fcc Ni view
EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_002 Cohesive energy versus lattice constant curve for bcc Aluminum view
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_003 Cohesive energy versus lattice constant curve for bcc Al v003 view
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_004 Cohesive energy versus lattice constant curve for bcc Al v004 view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_002 Cohesive energy versus lattice constant curve for diamond Aluminum view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_003 Cohesive energy versus lattice constant curve for diamond Al v003 view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_004 Cohesive energy versus lattice constant curve for diamond Al v004 view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_002 Cohesive energy versus lattice constant curve for fcc Aluminum view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_003 Cohesive energy versus lattice constant curve for fcc Al v003 view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_004 Cohesive energy versus lattice constant curve for fcc Al v004 view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_002 Cohesive energy versus lattice constant curve for sc Aluminum view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_003 Cohesive energy versus lattice constant curve for sc Al v003 view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_004 Cohesive energy versus lattice constant curve for sc Al v004 view
ElasticConstantsCubic_bcc_Al__TE_143620255826_004 Elastic constants for bcc Al at zero temperature view
ElasticConstantsCubic_bcc_Al__TE_143620255826_006 Elastic constants for bcc Al at zero temperature v006 view
ElasticConstantsCubic_fcc_Al__TE_944469580177_004 Elastic constants for fcc Al at zero temperature view
ElasticConstantsCubic_fcc_Al__TE_944469580177_005 Elastic constants for fcc Al at zero temperature v005 view
ElasticConstantsCubic_fcc_Al__TE_944469580177_006 Elastic constants for fcc Al at zero temperature v006 view
ElasticConstantsCubic_sc_Al__TE_566227372929_004 Elastic constants for sc Al at zero temperature view
ElasticConstantsCubic_sc_Al__TE_566227372929_005 Elastic constants for sc Al at zero temperature v005 view
ElasticConstantsCubic_sc_Al__TE_566227372929_006 Elastic constants for sc Al at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Al__TE_064090254718_004 Elastic constants for hcp Al at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_000 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_001 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_000 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_001 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Al__TE_117904176283_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Al v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Al__TE_641102822364_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Al v000 view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_005 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_006 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_007 Equilibrium zero-temperature lattice constant for bcc Al v007 view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_005 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_006 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_007 Equilibrium zero-temperature lattice constant for diamond Al v007 view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_005 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_006 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_007 Equilibrium zero-temperature lattice constant for fcc Al v007 view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_005 Equilibrium zero-temperature lattice constant for sc Al view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_006 Equilibrium zero-temperature lattice constant for sc Al view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_007 Equilibrium zero-temperature lattice constant for sc Al v007 view
LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_005 Equilibrium lattice constants for hcp Al v005 view
LinearThermalExpansionCoeff_fcc_Al__TE_957040092249_002 Linear thermal expansion coefficient of fcc Al at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Al__TE_957040092249_001 Linear thermal expansion coefficient of fcc Al at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Al__TE_363050395011_003 Phonon dispersion relations for fcc Al view
PhononDispersionCurve_fcc_Al__TE_363050395011_004 Phonon dispersion relations for fcc Al v004 view
StackingFaultFccCrystal_0bar_Al__TE_104913236993_002 Stacking and twinning fault energies for fcc Al v002 view
StackingFaultFccCrystal_Al_0bar__TE_104913236993_001 Stacking and twinning fault energies for fcc Al view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_003 Broken-bond fit of high-symmetry surface energies in fcc Al view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_004 Broken-bond fit of high-symmetry surface energies in fcc Al v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_001 Monovacancy formation energy and relaxation volume for fcc Al view
VacancyFormationMigration_fcc_Al__TE_209799619356_001 Vacancy formation and migration energy for fcc Al view
EAM_CubicNaturalSpline_Ercolessi_Adams_Al__MO_800509458712_001
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_001 Cohesive energy versus lattice constant curve for bcc Aluminum view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_001 Cohesive energy versus lattice constant curve for diamond Aluminum view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_001 Cohesive energy versus lattice constant curve for fcc Aluminum view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_001 Cohesive energy versus lattice constant curve for sc Aluminum view
ElasticConstantsCubic_bcc_Al__TE_143620255826_003 Elastic constants for bcc Al at zero temperature view
ElasticConstantsCubic_fcc_Al__TE_944469580177_003 Elastic constants for fcc Al at zero temperature view
ElasticConstantsCubic_sc_Al__TE_566227372929_003 Elastic constants for sc Al at zero temperature view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_004 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_004 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_004 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_004 Equilibrium zero-temperature lattice constant for sc Al view
LinearThermalExpansionCoeff_fcc_Al__TE_957040092249_000 Linear thermal expansion coefficient of fcc Al at room temperature under zero pressure view
PhononDispersionCurve_fcc_Al__TE_363050395011_002 Phonon dispersion relations for fcc Al view
StackingFaultFccCrystal_Al_0bar__TE_104913236993_000 Stacking and twinning fault energies for fcc Al view
SurfaceTest_fcc_Al__TE_761372278666_002 Broken-bond fit of high-symmetry surface energies in fcc Al view
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_000 Monovacancy formation energy and relaxation volume for fcc Al view
VacancyFormationMigration_fcc_Al__TE_209799619356_000 Vacancy formation and migration energy for fcc Al view
EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_002 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_003 Cohesive energy versus lattice constant curve for bcc Fe v003 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_002 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_003 Cohesive energy versus lattice constant curve for diamond Fe v003 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_002 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_003 Cohesive energy versus lattice constant curve for fcc Fe v003 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_002 Cohesive energy versus lattice constant curve for sc Iron view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_003 Cohesive energy versus lattice constant curve for sc Fe v003 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_004 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_005 Elastic constants for bcc Fe at zero temperature v005 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_006 Elastic constants for bcc Fe at zero temperature v006 view
ElasticConstantsCubic_diamond_Fe__TE_086965548050_000 Elastic constants for diamond Fe at zero temperature v000 view
ElasticConstantsCubic_diamond_Fe__TE_086965548050_001 Elastic constants for diamond Fe at zero temperature v001 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_004 Elastic constants for fcc Fe at zero temperature view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_005 Elastic constants for fcc Fe at zero temperature v005 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_006 Elastic constants for fcc Fe at zero temperature v006 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_004 Elastic constants for sc Fe at zero temperature view
ElasticConstantsCubic_sc_Fe__TE_828391579283_005 Elastic constants for sc Fe at zero temperature v005 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_006 Elastic constants for sc Fe at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_003 Elastic constants for hcp Fe at zero temperature view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_004 Elastic constants for hcp Fe at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v000 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v001 view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_005 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_006 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_007 Equilibrium zero-temperature lattice constant for bcc Fe v007 view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_005 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_006 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_007 Equilibrium zero-temperature lattice constant for diamond Fe v007 view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_005 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_006 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_007 Equilibrium zero-temperature lattice constant for fcc Fe v007 view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_005 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_006 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_007 Equilibrium zero-temperature lattice constant for sc Fe v007 view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_004 Equilibrium lattice constants for hcp Fe view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_005 Equilibrium lattice constants for hcp Fe v005 view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_002 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_Fe__TE_506786620750_001 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v001 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_003 Broken-bond fit of high-symmetry surface energies in bcc Fe view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004 Broken-bond fit of high-symmetry surface energies in bcc Fe v004 view
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001 Monovacancy formation energy and relaxation volume for bcc Fe view
VacancyFormationMigration_bcc_Fe__TE_424131500075_001 Vacancy formation and migration energy for bcc Fe view
EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_002 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_003 Cohesive energy versus lattice constant curve for bcc Fe v003 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004 view
CohesiveEnergyVsLatticeConstant_bcc_P__TE_061019313203_002 Cohesive energy versus lattice constant curve for bcc Phosphorus view
CohesiveEnergyVsLatticeConstant_bcc_P__TE_061019313203_003 Cohesive energy versus lattice constant curve for bcc P v003 view
CohesiveEnergyVsLatticeConstant_bcc_P__TE_061019313203_004 Cohesive energy versus lattice constant curve for bcc P v004 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_002 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_003 Cohesive energy versus lattice constant curve for diamond Fe v003 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004 view
CohesiveEnergyVsLatticeConstant_diamond_P__TE_873533927527_002 Cohesive energy versus lattice constant curve for diamond Phosphorus view
CohesiveEnergyVsLatticeConstant_diamond_P__TE_873533927527_003 Cohesive energy versus lattice constant curve for diamond P v003 view
CohesiveEnergyVsLatticeConstant_diamond_P__TE_873533927527_004 Cohesive energy versus lattice constant curve for diamond P v004 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_002 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_003 Cohesive energy versus lattice constant curve for fcc Fe v003 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004 view
CohesiveEnergyVsLatticeConstant_fcc_P__TE_280916163737_002 Cohesive energy versus lattice constant curve for fcc Phosphorus view
CohesiveEnergyVsLatticeConstant_fcc_P__TE_280916163737_003 Cohesive energy versus lattice constant curve for fcc P v003 view
CohesiveEnergyVsLatticeConstant_fcc_P__TE_280916163737_004 Cohesive energy versus lattice constant curve for fcc P v004 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_002 Cohesive energy versus lattice constant curve for sc Iron view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_003 Cohesive energy versus lattice constant curve for sc Fe v003 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004 view
CohesiveEnergyVsLatticeConstant_sc_P__TE_721338325990_002 Cohesive energy versus lattice constant curve for sc Phosphorus view
CohesiveEnergyVsLatticeConstant_sc_P__TE_721338325990_003 Cohesive energy versus lattice constant curve for sc P v003 view
CohesiveEnergyVsLatticeConstant_sc_P__TE_721338325990_004 Cohesive energy versus lattice constant curve for sc P v004 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_004 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_005 Elastic constants for bcc Fe at zero temperature v005 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_006 Elastic constants for bcc Fe at zero temperature v006 view
ElasticConstantsCubic_bcc_P__TE_423598108018_004 Elastic constants for bcc P at zero temperature view
ElasticConstantsCubic_bcc_P__TE_423598108018_005 Elastic constants for bcc P at zero temperature v005 view
ElasticConstantsCubic_bcc_P__TE_423598108018_006 Elastic constants for bcc P at zero temperature v006 view
ElasticConstantsCubic_diamond_P__TE_962809210600_000 Elastic constants for diamond P at zero temperature v000 view
ElasticConstantsCubic_diamond_P__TE_962809210600_001 Elastic constants for diamond P at zero temperature v001 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_004 Elastic constants for fcc Fe at zero temperature view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_005 Elastic constants for fcc Fe at zero temperature v005 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_006 Elastic constants for fcc Fe at zero temperature v006 view
ElasticConstantsCubic_fcc_P__TE_329109115138_004 Elastic constants for fcc P at zero temperature view
ElasticConstantsCubic_fcc_P__TE_329109115138_005 Elastic constants for fcc P at zero temperature v005 view
ElasticConstantsCubic_fcc_P__TE_329109115138_006 Elastic constants for fcc P at zero temperature v006 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_004 Elastic constants for sc Fe at zero temperature view
ElasticConstantsCubic_sc_Fe__TE_828391579283_005 Elastic constants for sc Fe at zero temperature v005 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_006 Elastic constants for sc Fe at zero temperature v006 view
ElasticConstantsCubic_sc_P__TE_446564879193_004 Elastic constants for sc P at zero temperature view
ElasticConstantsCubic_sc_P__TE_446564879193_005 Elastic constants for sc P at zero temperature v005 view
ElasticConstantsCubic_sc_P__TE_446564879193_006 Elastic constants for sc P at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_003 Elastic constants for hcp Fe at zero temperature view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_004 Elastic constants for hcp Fe at zero temperature v004 view
ElasticConstantsHexagonal_hcp_P__TE_148373543179_003 Elastic constants for hcp P at zero temperature view
ElasticConstantsHexagonal_hcp_P__TE_148373543179_004 Elastic constants for hcp P at zero temperature v004 view
EquilibriumCrystalStructure_A2B_hP9_189_fg_ad_FeP__TE_935676597244_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_hP9_189_fg_ad v000 view
EquilibriumCrystalStructure_A2B_hP9_189_fg_ad_FeP__TE_935676597244_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_hP9_189_fg_ad v001 view
EquilibriumCrystalStructure_A2B_hP9_189_fg_ad_FeP__TE_935676597244_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_hP9_189_fg_ad v002 view
EquilibriumCrystalStructure_A2B_oC18_38_abde_ae_FeP__TE_467366456565_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_oC18_38_abde_ae v000 view
EquilibriumCrystalStructure_A2B_oC18_38_abde_ae_FeP__TE_467366456565_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_oC18_38_abde_ae v001 view
EquilibriumCrystalStructure_A2B_oC18_38_abde_ae_FeP__TE_467366456565_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A2B_oC18_38_abde_ae v002 view
EquilibriumCrystalStructure_A3B_tI32_82_3g_g_FeP__TE_773208597489_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A3B_tI32_82_3g_g v000 view
EquilibriumCrystalStructure_A3B_tI32_82_3g_g_FeP__TE_773208597489_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A3B_tI32_82_3g_g v001 view
EquilibriumCrystalStructure_A3B_tI32_82_3g_g_FeP__TE_773208597489_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype A3B_tI32_82_3g_g v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cP1_221_a_P__TE_315988498638_000 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_cP1_221_a v000 view
EquilibriumCrystalStructure_A_cP1_221_a_P__TE_315988498638_001 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_cP1_221_a v001 view
EquilibriumCrystalStructure_A_cP1_221_a_P__TE_315988498638_002 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_cP1_221_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_tI4_139_e_P__TE_868845388974_000 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_tI4_139_e v000 view
EquilibriumCrystalStructure_A_tI4_139_e_P__TE_868845388974_001 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_tI4_139_e v001 view
EquilibriumCrystalStructure_A_tI4_139_e_P__TE_868845388974_002 Equilibrium crystal structure and energy for P in AFLOW crystal prototype A_tI4_139_e v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v000 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v002 view
EquilibriumCrystalStructure_AB2_oP6_58_a_g_FeP__TE_379666223170_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB2_oP6_58_a_g v000 view
EquilibriumCrystalStructure_AB2_oP6_58_a_g_FeP__TE_379666223170_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB2_oP6_58_a_g v001 view
EquilibriumCrystalStructure_AB2_oP6_58_a_g_FeP__TE_379666223170_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB2_oP6_58_a_g v002 view
EquilibriumCrystalStructure_AB4_mC40_15_ae_4f_FeP__TE_073917372558_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mC40_15_ae_4f v000 view
EquilibriumCrystalStructure_AB4_mC40_15_ae_4f_FeP__TE_073917372558_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mC40_15_ae_4f v001 view
EquilibriumCrystalStructure_AB4_mC40_15_ae_4f_FeP__TE_073917372558_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mC40_15_ae_4f v002 view
EquilibriumCrystalStructure_AB4_mP30_14_ae_6e_FeP__TE_454464262542_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mP30_14_ae_6e v000 view
EquilibriumCrystalStructure_AB4_mP30_14_ae_6e_FeP__TE_454464262542_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mP30_14_ae_6e v001 view
EquilibriumCrystalStructure_AB4_mP30_14_ae_6e_FeP__TE_454464262542_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB4_mP30_14_ae_6e v002 view
EquilibriumCrystalStructure_AB_oP8_62_c_c_FeP__TE_391353814247_000 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB_oP8_62_c_c v000 view
EquilibriumCrystalStructure_AB_oP8_62_c_c_FeP__TE_391353814247_001 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB_oP8_62_c_c v001 view
EquilibriumCrystalStructure_AB_oP8_62_c_c_FeP__TE_391353814247_002 Equilibrium crystal structure and energy for FeP in AFLOW crystal prototype AB_oP8_62_c_c v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v001 view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_005 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_006 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_007 Equilibrium zero-temperature lattice constant for bcc Fe v007 view
LatticeConstantCubicEnergy_bcc_P__TE_758553526818_005 Equilibrium zero-temperature lattice constant for bcc P view
LatticeConstantCubicEnergy_bcc_P__TE_758553526818_006 Equilibrium zero-temperature lattice constant for bcc P view
LatticeConstantCubicEnergy_bcc_P__TE_758553526818_007 Equilibrium zero-temperature lattice constant for bcc P v007 view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_005 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_006 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_007 Equilibrium zero-temperature lattice constant for diamond Fe v007 view
LatticeConstantCubicEnergy_diamond_P__TE_222583751475_005 Equilibrium zero-temperature lattice constant for diamond P view
LatticeConstantCubicEnergy_diamond_P__TE_222583751475_006 Equilibrium zero-temperature lattice constant for diamond P view
LatticeConstantCubicEnergy_diamond_P__TE_222583751475_007 Equilibrium zero-temperature lattice constant for diamond P v007 view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_005 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_006 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_007 Equilibrium zero-temperature lattice constant for fcc Fe v007 view
LatticeConstantCubicEnergy_fcc_P__TE_810163001739_005 Equilibrium zero-temperature lattice constant for fcc P view
LatticeConstantCubicEnergy_fcc_P__TE_810163001739_006 Equilibrium zero-temperature lattice constant for fcc P view
LatticeConstantCubicEnergy_fcc_P__TE_810163001739_007 Equilibrium zero-temperature lattice constant for fcc P v007 view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_005 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_006 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_007 Equilibrium zero-temperature lattice constant for sc Fe v007 view
LatticeConstantCubicEnergy_sc_P__TE_291486987207_005 Equilibrium zero-temperature lattice constant for sc P view
LatticeConstantCubicEnergy_sc_P__TE_291486987207_006 Equilibrium zero-temperature lattice constant for sc P view
LatticeConstantCubicEnergy_sc_P__TE_291486987207_007 Equilibrium zero-temperature lattice constant for sc P v007 view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_004 Equilibrium lattice constants for hcp Fe view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_005 Equilibrium lattice constants for hcp Fe v005 view
LatticeConstantHexagonalEnergy_hcp_P__TE_419634082501_004 Equilibrium lattice constants for hcp P view
LatticeConstantHexagonalEnergy_hcp_P__TE_419634082501_005 Equilibrium lattice constants for hcp P v005 view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_002 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_Fe__TE_506786620750_001 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v001 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_003 Broken-bond fit of high-symmetry surface energies in bcc Fe view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004 Broken-bond fit of high-symmetry surface energies in bcc Fe v004 view
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001 Monovacancy formation energy and relaxation volume for bcc Fe view
VacancyFormationMigration_bcc_Fe__TE_424131500075_001 Vacancy formation and migration energy for bcc Fe view
EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_002 Cohesive energy versus lattice constant curve for bcc Silver view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_003 Cohesive energy versus lattice constant curve for bcc Ag v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_004 Cohesive energy versus lattice constant curve for bcc Ag v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_002 Cohesive energy versus lattice constant curve for diamond Silver view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_003 Cohesive energy versus lattice constant curve for diamond Ag v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_004 Cohesive energy versus lattice constant curve for diamond Ag v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_002 Cohesive energy versus lattice constant curve for fcc Silver view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_003 Cohesive energy versus lattice constant curve for fcc Ag v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_004 Cohesive energy versus lattice constant curve for fcc Ag v004 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_002 Cohesive energy versus lattice constant curve for sc Silver view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_003 Cohesive energy versus lattice constant curve for sc Ag v003 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_004 Cohesive energy versus lattice constant curve for sc Ag v004 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_004 Elastic constants for bcc Ag at zero temperature view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_005 Elastic constants for bcc Ag at zero temperature v005 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_006 Elastic constants for bcc Ag at zero temperature v006 view
ElasticConstantsCubic_diamond_Ag__TE_427316224544_000 Elastic constants for diamond Ag at zero temperature v000 view
ElasticConstantsCubic_diamond_Ag__TE_427316224544_001 Elastic constants for diamond Ag at zero temperature v001 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_004 Elastic constants for fcc Ag at zero temperature view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_005 Elastic constants for fcc Ag at zero temperature v005 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_006 Elastic constants for fcc Ag at zero temperature v006 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_004 Elastic constants for sc Ag at zero temperature view
ElasticConstantsCubic_sc_Ag__TE_042440763055_005 Elastic constants for sc Ag at zero temperature v005 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_006 Elastic constants for sc Ag at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_003 Elastic constants for hcp Ag at zero temperature view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_004 Elastic constants for hcp Ag at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v000 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ag__TE_599487327567_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ag__TE_991735270868_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ag__TE_921842941181_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ag__TE_912372587866_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ag v000 view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_005 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_006 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_007 Equilibrium zero-temperature lattice constant for bcc Ag v007 view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_005 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_006 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_007 Equilibrium zero-temperature lattice constant for diamond Ag v007 view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_005 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_006 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_007 Equilibrium zero-temperature lattice constant for fcc Ag v007 view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_005 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_006 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_007 Equilibrium zero-temperature lattice constant for sc Ag v007 view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_004 Equilibrium lattice constants for hcp Ag view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_005 Equilibrium lattice constants for hcp Ag v005 view
LinearThermalExpansionCoeffCubic_fcc_Ag__TE_016048498506_001 Linear thermal expansion coefficient of fcc Ag at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ag__TE_916421991486_003 Phonon dispersion relations for fcc Ag view
PhononDispersionCurve_fcc_Ag__TE_916421991486_004 Phonon dispersion relations for fcc Ag v004 view
StackingFaultFccCrystal_0bar_Ag__TE_802425246128_002 Stacking and twinning fault energies for fcc Ag v002 view
StackingFaultFccCrystal_Ag_0bar__TE_802425246128_001 Stacking and twinning fault energies for fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_003 Broken-bond fit of high-symmetry surface energies in fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_004 Broken-bond fit of high-symmetry surface energies in fcc Ag v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001 Monovacancy formation energy and relaxation volume for fcc Ag view
VacancyFormationMigration_fcc_Ag__TE_930419041081_001 Vacancy formation and migration energy for fcc Ag view
EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_002 Cohesive energy versus lattice constant curve for bcc Gold view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_003 Cohesive energy versus lattice constant curve for bcc Au v003 view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_004 Cohesive energy versus lattice constant curve for bcc Au v004 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_002 Cohesive energy versus lattice constant curve for diamond Gold view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_003 Cohesive energy versus lattice constant curve for diamond Au v003 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_004 Cohesive energy versus lattice constant curve for diamond Au v004 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_002 Cohesive energy versus lattice constant curve for fcc Gold view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_003 Cohesive energy versus lattice constant curve for fcc Au v003 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_004 Cohesive energy versus lattice constant curve for fcc Au v004 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_002 Cohesive energy versus lattice constant curve for sc Gold view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_003 Cohesive energy versus lattice constant curve for sc Au v003 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_004 Cohesive energy versus lattice constant curve for sc Au v004 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_004 Elastic constants for bcc Au at zero temperature view
ElasticConstantsCubic_bcc_Au__TE_331337049300_005 Elastic constants for bcc Au at zero temperature v005 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_006 Elastic constants for bcc Au at zero temperature v006 view
ElasticConstantsCubic_diamond_Au__TE_692527459863_001 Elastic constants for diamond Au at zero temperature v001 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_004 Elastic constants for fcc Au at zero temperature view
ElasticConstantsCubic_fcc_Au__TE_955259038482_005 Elastic constants for fcc Au at zero temperature v005 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_006 Elastic constants for fcc Au at zero temperature v006 view
ElasticConstantsCubic_sc_Au__TE_292034176243_004 Elastic constants for sc Au at zero temperature view
ElasticConstantsCubic_sc_Au__TE_292034176243_005 Elastic constants for sc Au at zero temperature v005 view
ElasticConstantsCubic_sc_Au__TE_292034176243_006 Elastic constants for sc Au at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_003 Elastic constants for hcp Au at zero temperature view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_004 Elastic constants for hcp Au at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_000 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_001 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Au__TE_320230245451_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Au__TE_816974134313_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Au__TE_373007705580_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Au__TE_190867597669_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Au v000 view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_005 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_006 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_007 Equilibrium zero-temperature lattice constant for bcc Au v007 view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_005 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_006 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_007 Equilibrium zero-temperature lattice constant for diamond Au v007 view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_005 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_006 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_007 Equilibrium zero-temperature lattice constant for fcc Au v007 view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_005 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_006 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_007 Equilibrium zero-temperature lattice constant for sc Au v007 view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_004 Equilibrium lattice constants for hcp Au view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_005 Equilibrium lattice constants for hcp Au v005 view
LinearThermalExpansionCoeffCubic_fcc_Au__TE_173429922932_001 Linear thermal expansion coefficient of fcc Au at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Au__TE_171727129373_003 Phonon dispersion relations for fcc Au view
PhononDispersionCurve_fcc_Au__TE_171727129373_004 Phonon dispersion relations for fcc Au v004 view
StackingFaultFccCrystal_0bar_Au__TE_843792000528_002 Stacking and twinning fault energies for fcc Au v002 view
StackingFaultFccCrystal_Au_0bar__TE_843792000528_001 Stacking and twinning fault energies for fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_003 Broken-bond fit of high-symmetry surface energies in fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004 Broken-bond fit of high-symmetry surface energies in fcc Au v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001 Monovacancy formation energy and relaxation volume for fcc Au view
VacancyFormationMigration_fcc_Au__TE_591056455495_001 Vacancy formation and migration energy for fcc Au view
EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_002 Cohesive energy versus lattice constant curve for bcc Copper view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_003 Cohesive energy versus lattice constant curve for bcc Cu v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_004 Cohesive energy versus lattice constant curve for bcc Cu v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_002 Cohesive energy versus lattice constant curve for diamond Copper view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_003 Cohesive energy versus lattice constant curve for diamond Cu v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004 Cohesive energy versus lattice constant curve for diamond Cu v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_002 Cohesive energy versus lattice constant curve for fcc Copper view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_003 Cohesive energy versus lattice constant curve for fcc Cu v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_004 Cohesive energy versus lattice constant curve for fcc Cu v004 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_002 Cohesive energy versus lattice constant curve for sc Copper view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_003 Cohesive energy versus lattice constant curve for sc Cu v003 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_004 Cohesive energy versus lattice constant curve for sc Cu v004 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_004 Elastic constants for bcc Cu at zero temperature view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_005 Elastic constants for bcc Cu at zero temperature v005 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_006 Elastic constants for bcc Cu at zero temperature v006 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_000 Elastic constants for diamond Cu at zero temperature v000 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_001 Elastic constants for diamond Cu at zero temperature v001 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_004 Elastic constants for fcc Cu at zero temperature view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_005 Elastic constants for fcc Cu at zero temperature v005 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_006 Elastic constants for fcc Cu at zero temperature v006 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_004 Elastic constants for sc Cu at zero temperature view
ElasticConstantsCubic_sc_Cu__TE_319353354686_005 Elastic constants for sc Cu at zero temperature v005 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_006 Elastic constants for sc Cu at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_003 Elastic constants for hcp Cu at zero temperature view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_004 Elastic constants for hcp Cu at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v001 view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_005 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_006 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_007 Equilibrium zero-temperature lattice constant for bcc Cu v007 view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_005 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_007 Equilibrium zero-temperature lattice constant for diamond Cu v007 view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_005 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_006 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_007 Equilibrium zero-temperature lattice constant for fcc Cu v007 view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_005 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_006 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_007 Equilibrium zero-temperature lattice constant for sc Cu v007 view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_004 Equilibrium lattice constants for hcp Cu view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005 Equilibrium lattice constants for hcp Cu v005 view
LinearThermalExpansionCoeffCubic_fcc_Cu__TE_335019190158_001 Linear thermal expansion coefficient of fcc Cu at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Cu__TE_575177044018_003 Phonon dispersion relations for fcc Cu view
PhononDispersionCurve_fcc_Cu__TE_575177044018_004 Phonon dispersion relations for fcc Cu v004 view
StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002 Stacking and twinning fault energies for fcc Cu v002 view
StackingFaultFccCrystal_Cu_0bar__TE_090810770014_001 Stacking and twinning fault energies for fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003 Broken-bond fit of high-symmetry surface energies in fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004 Broken-bond fit of high-symmetry surface energies in fcc Cu v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu view
VacancyFormationMigration_fcc_Cu__TE_038488899376_001 Vacancy formation and migration energy for fcc Cu view
EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_005 Elastic constants for bcc Ni at zero temperature v005 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_005 Elastic constants for fcc Ni at zero temperature v005 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_004 Elastic constants for sc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_005 Elastic constants for sc Ni at zero temperature v005 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_003 Elastic constants for hcp Ni at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_004 Elastic constants for hcp Ni at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_005 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_006 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_005 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_006 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_005 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_006 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_005 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_006 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_004 Equilibrium lattice constants for hcp Ni view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_003 Phonon dispersion relations for fcc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_001 Stacking and twinning fault energies for fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_003 Broken-bond fit of high-symmetry surface energies in fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_AcklandTichyVitek_1987v2_Ag__MO_055919219575_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_002 Cohesive energy versus lattice constant curve for bcc Silver view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_003 Cohesive energy versus lattice constant curve for bcc Ag v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_004 Cohesive energy versus lattice constant curve for bcc Ag v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_002 Cohesive energy versus lattice constant curve for diamond Silver view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_003 Cohesive energy versus lattice constant curve for diamond Ag v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_004 Cohesive energy versus lattice constant curve for diamond Ag v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_002 Cohesive energy versus lattice constant curve for fcc Silver view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_003 Cohesive energy versus lattice constant curve for fcc Ag v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_004 Cohesive energy versus lattice constant curve for fcc Ag v004 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_002 Cohesive energy versus lattice constant curve for sc Silver view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_003 Cohesive energy versus lattice constant curve for sc Ag v003 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_004 Cohesive energy versus lattice constant curve for sc Ag v004 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_004 Elastic constants for bcc Ag at zero temperature view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_005 Elastic constants for bcc Ag at zero temperature v005 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_006 Elastic constants for bcc Ag at zero temperature v006 view
ElasticConstantsCubic_diamond_Ag__TE_427316224544_000 Elastic constants for diamond Ag at zero temperature v000 view
ElasticConstantsCubic_diamond_Ag__TE_427316224544_001 Elastic constants for diamond Ag at zero temperature v001 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_004 Elastic constants for fcc Ag at zero temperature view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_005 Elastic constants for fcc Ag at zero temperature v005 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_006 Elastic constants for fcc Ag at zero temperature v006 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_004 Elastic constants for sc Ag at zero temperature view
ElasticConstantsCubic_sc_Ag__TE_042440763055_005 Elastic constants for sc Ag at zero temperature v005 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_006 Elastic constants for sc Ag at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_003 Elastic constants for hcp Ag at zero temperature view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_004 Elastic constants for hcp Ag at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v000 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ag__TE_599487327567_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ag__TE_991735270868_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ag__TE_921842941181_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ag v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ag__TE_912372587866_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ag v000 view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_005 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_006 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_007 Equilibrium zero-temperature lattice constant for bcc Ag v007 view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_005 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_006 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_007 Equilibrium zero-temperature lattice constant for diamond Ag v007 view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_005 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_006 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_007 Equilibrium zero-temperature lattice constant for fcc Ag v007 view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_005 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_006 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_007 Equilibrium zero-temperature lattice constant for sc Ag v007 view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_004 Equilibrium lattice constants for hcp Ag view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_005 Equilibrium lattice constants for hcp Ag v005 view
LinearThermalExpansionCoeffCubic_fcc_Ag__TE_016048498506_001 Linear thermal expansion coefficient of fcc Ag at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ag__TE_916421991486_003 Phonon dispersion relations for fcc Ag view
PhononDispersionCurve_fcc_Ag__TE_916421991486_004 Phonon dispersion relations for fcc Ag v004 view
StackingFaultFccCrystal_0bar_Ag__TE_802425246128_002 Stacking and twinning fault energies for fcc Ag v002 view
StackingFaultFccCrystal_Ag_0bar__TE_802425246128_001 Stacking and twinning fault energies for fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_003 Broken-bond fit of high-symmetry surface energies in fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_004 Broken-bond fit of high-symmetry surface energies in fcc Ag v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001 Monovacancy formation energy and relaxation volume for fcc Ag view
VacancyFormationMigration_fcc_Ag__TE_930419041081_001 Vacancy formation and migration energy for fcc Ag view
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_002 Cohesive energy versus lattice constant curve for bcc Copper view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_003 Cohesive energy versus lattice constant curve for bcc Cu v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_004 Cohesive energy versus lattice constant curve for bcc Cu v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_002 Cohesive energy versus lattice constant curve for diamond Copper view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_003 Cohesive energy versus lattice constant curve for diamond Cu v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004 Cohesive energy versus lattice constant curve for diamond Cu v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_002 Cohesive energy versus lattice constant curve for fcc Copper view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_003 Cohesive energy versus lattice constant curve for fcc Cu v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_004 Cohesive energy versus lattice constant curve for fcc Cu v004 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_002 Cohesive energy versus lattice constant curve for sc Copper view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_003 Cohesive energy versus lattice constant curve for sc Cu v003 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_004 Cohesive energy versus lattice constant curve for sc Cu v004 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_004 Elastic constants for bcc Cu at zero temperature view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_005 Elastic constants for bcc Cu at zero temperature v005 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_006 Elastic constants for bcc Cu at zero temperature v006 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_000 Elastic constants for diamond Cu at zero temperature v000 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_001 Elastic constants for diamond Cu at zero temperature v001 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_004 Elastic constants for fcc Cu at zero temperature view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_005 Elastic constants for fcc Cu at zero temperature v005 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_006 Elastic constants for fcc Cu at zero temperature v006 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_004 Elastic constants for sc Cu at zero temperature view
ElasticConstantsCubic_sc_Cu__TE_319353354686_005 Elastic constants for sc Cu at zero temperature v005 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_006 Elastic constants for sc Cu at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_003 Elastic constants for hcp Cu at zero temperature view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_004 Elastic constants for hcp Cu at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v001 view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_005 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_006 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_007 Equilibrium zero-temperature lattice constant for bcc Cu v007 view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_005 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_007 Equilibrium zero-temperature lattice constant for diamond Cu v007 view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_005 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_006 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_007 Equilibrium zero-temperature lattice constant for fcc Cu v007 view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_005 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_006 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_007 Equilibrium zero-temperature lattice constant for sc Cu v007 view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_004 Equilibrium lattice constants for hcp Cu view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005 Equilibrium lattice constants for hcp Cu v005 view
LinearThermalExpansionCoeffCubic_fcc_Cu__TE_335019190158_001 Linear thermal expansion coefficient of fcc Cu at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Cu__TE_575177044018_003 Phonon dispersion relations for fcc Cu view
PhononDispersionCurve_fcc_Cu__TE_575177044018_004 Phonon dispersion relations for fcc Cu v004 view
StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002 Stacking and twinning fault energies for fcc Cu v002 view
StackingFaultFccCrystal_Cu_0bar__TE_090810770014_001 Stacking and twinning fault energies for fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003 Broken-bond fit of high-symmetry surface energies in fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004 Broken-bond fit of high-symmetry surface energies in fcc Cu v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu view
VacancyFormationMigration_fcc_Cu__TE_038488899376_001 Vacancy formation and migration energy for fcc Cu view
EAM_Dynamo_AcklandTichyVitek_1987v2_Ni__MO_769632475533_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_005 Elastic constants for bcc Ni at zero temperature v005 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_005 Elastic constants for fcc Ni at zero temperature v005 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_004 Elastic constants for sc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_005 Elastic constants for sc Ni at zero temperature v005 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_003 Elastic constants for hcp Ni at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_004 Elastic constants for hcp Ni at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_005 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_006 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_005 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_006 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_005 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_006 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_005 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_006 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_004 Equilibrium lattice constants for hcp Ni view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_003 Phonon dispersion relations for fcc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_001 Stacking and twinning fault energies for fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_003 Broken-bond fit of high-symmetry surface energies in fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_002 Cohesive energy versus lattice constant curve for bcc Copper view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_003 Cohesive energy versus lattice constant curve for bcc Cu v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_004 Cohesive energy versus lattice constant curve for bcc Cu v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_002 Cohesive energy versus lattice constant curve for diamond Copper view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_003 Cohesive energy versus lattice constant curve for diamond Cu v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004 Cohesive energy versus lattice constant curve for diamond Cu v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_002 Cohesive energy versus lattice constant curve for fcc Copper view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_003 Cohesive energy versus lattice constant curve for fcc Cu v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_004 Cohesive energy versus lattice constant curve for fcc Cu v004 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_002 Cohesive energy versus lattice constant curve for sc Copper view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_003 Cohesive energy versus lattice constant curve for sc Cu v003 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_004 Cohesive energy versus lattice constant curve for sc Cu v004 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_004 Elastic constants for bcc Cu at zero temperature view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_005 Elastic constants for bcc Cu at zero temperature v005 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_006 Elastic constants for bcc Cu at zero temperature v006 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_000 Elastic constants for diamond Cu at zero temperature v000 view
ElasticConstantsCubic_diamond_Cu__TE_330878926469_001 Elastic constants for diamond Cu at zero temperature v001 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_004 Elastic constants for fcc Cu at zero temperature view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_005 Elastic constants for fcc Cu at zero temperature v005 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_006 Elastic constants for fcc Cu at zero temperature v006 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_004 Elastic constants for sc Cu at zero temperature view
ElasticConstantsCubic_sc_Cu__TE_319353354686_005 Elastic constants for sc Cu at zero temperature v005 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_006 Elastic constants for sc Cu at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_003 Elastic constants for hcp Cu at zero temperature view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_004 Elastic constants for hcp Cu at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v001 view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_005 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_006 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_007 Equilibrium zero-temperature lattice constant for bcc Cu v007 view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_005 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_007 Equilibrium zero-temperature lattice constant for diamond Cu v007 view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_005 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_006 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_007 Equilibrium zero-temperature lattice constant for fcc Cu v007 view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_005 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_006 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_007 Equilibrium zero-temperature lattice constant for sc Cu v007 view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_004 Equilibrium lattice constants for hcp Cu view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005 Equilibrium lattice constants for hcp Cu v005 view
LinearThermalExpansionCoeffCubic_fcc_Cu__TE_335019190158_001 Linear thermal expansion coefficient of fcc Cu at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Cu__TE_575177044018_003 Phonon dispersion relations for fcc Cu view
PhononDispersionCurve_fcc_Cu__TE_575177044018_004 Phonon dispersion relations for fcc Cu v004 view
StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002 Stacking and twinning fault energies for fcc Cu v002 view
StackingFaultFccCrystal_Cu_0bar__TE_090810770014_001 Stacking and twinning fault energies for fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003 Broken-bond fit of high-symmetry surface energies in fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004 Broken-bond fit of high-symmetry surface energies in fcc Cu v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu view
VacancyFormationMigration_fcc_Cu__TE_038488899376_001 Vacancy formation and migration energy for fcc Cu view
EAM_Dynamo_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Zr__TE_783403151694_002 Cohesive energy versus lattice constant curve for bcc Zirconium view
CohesiveEnergyVsLatticeConstant_bcc_Zr__TE_783403151694_003 Cohesive energy versus lattice constant curve for bcc Zr v003 view
CohesiveEnergyVsLatticeConstant_bcc_Zr__TE_783403151694_004 Cohesive energy versus lattice constant curve for bcc Zr v004 view
CohesiveEnergyVsLatticeConstant_diamond_Zr__TE_742267498137_002 Cohesive energy versus lattice constant curve for diamond Zirconium view
CohesiveEnergyVsLatticeConstant_diamond_Zr__TE_742267498137_003 Cohesive energy versus lattice constant curve for diamond Zr v003 view
CohesiveEnergyVsLatticeConstant_diamond_Zr__TE_742267498137_004 Cohesive energy versus lattice constant curve for diamond Zr v004 view
CohesiveEnergyVsLatticeConstant_fcc_Zr__TE_241660333240_002 Cohesive energy versus lattice constant curve for fcc Zirconium view
CohesiveEnergyVsLatticeConstant_fcc_Zr__TE_241660333240_003 Cohesive energy versus lattice constant curve for fcc Zr v003 view
CohesiveEnergyVsLatticeConstant_fcc_Zr__TE_241660333240_004 Cohesive energy versus lattice constant curve for fcc Zr v004 view
CohesiveEnergyVsLatticeConstant_sc_Zr__TE_943773936272_002 Cohesive energy versus lattice constant curve for sc Zirconium view
CohesiveEnergyVsLatticeConstant_sc_Zr__TE_943773936272_003 Cohesive energy versus lattice constant curve for sc Zr v003 view
CohesiveEnergyVsLatticeConstant_sc_Zr__TE_943773936272_004 Cohesive energy versus lattice constant curve for sc Zr v004 view
ElasticConstantsCubic_bcc_Zr__TE_286034503723_004 Elastic constants for bcc Zr at zero temperature view
ElasticConstantsCubic_bcc_Zr__TE_286034503723_005 Elastic constants for bcc Zr at zero temperature v005 view
ElasticConstantsCubic_bcc_Zr__TE_286034503723_006 Elastic constants for bcc Zr at zero temperature v006 view
ElasticConstantsCubic_fcc_Zr__TE_026250508553_004 Elastic constants for fcc Zr at zero temperature view
ElasticConstantsCubic_fcc_Zr__TE_026250508553_005 Elastic constants for fcc Zr at zero temperature v005 view
ElasticConstantsCubic_fcc_Zr__TE_026250508553_006 Elastic constants for fcc Zr at zero temperature v006 view
ElasticConstantsCubic_sc_Zr__TE_103738020637_004 Elastic constants for sc Zr at zero temperature view
ElasticConstantsCubic_sc_Zr__TE_103738020637_005 Elastic constants for sc Zr at zero temperature v005 view
ElasticConstantsCubic_sc_Zr__TE_103738020637_006 Elastic constants for sc Zr at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Zr__TE_924023808720_003 Elastic constants for hcp Zr at zero temperature view
ElasticConstantsHexagonal_hcp_Zr__TE_924023808720_004 Elastic constants for hcp Zr at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Zr__TE_745417011053_000 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Zr__TE_745417011053_001 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Zr__TE_745417011053_002 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Zr__TE_536573906378_000 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Zr__TE_536573906378_001 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Zr__TE_536573906378_002 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Zr__TE_887488160842_000 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Zr__TE_887488160842_001 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Zr__TE_887488160842_002 Equilibrium crystal structure and energy for Zr in AFLOW crystal prototype A_hP2_194_c v002 view
LatticeConstantCubicEnergy_bcc_Zr__TE_819253466839_005 Equilibrium zero-temperature lattice constant for bcc Zr view
LatticeConstantCubicEnergy_bcc_Zr__TE_819253466839_006 Equilibrium zero-temperature lattice constant for bcc Zr view
LatticeConstantCubicEnergy_bcc_Zr__TE_819253466839_007 Equilibrium zero-temperature lattice constant for bcc Zr v007 view
LatticeConstantCubicEnergy_diamond_Zr__TE_184605903050_005 Equilibrium zero-temperature lattice constant for diamond Zr view
LatticeConstantCubicEnergy_diamond_Zr__TE_184605903050_006 Equilibrium zero-temperature lattice constant for diamond Zr view
LatticeConstantCubicEnergy_diamond_Zr__TE_184605903050_007 Equilibrium zero-temperature lattice constant for diamond Zr v007 view
LatticeConstantCubicEnergy_fcc_Zr__TE_010442444476_005 Equilibrium zero-temperature lattice constant for fcc Zr view
LatticeConstantCubicEnergy_fcc_Zr__TE_010442444476_006 Equilibrium zero-temperature lattice constant for fcc Zr view
LatticeConstantCubicEnergy_fcc_Zr__TE_010442444476_007 Equilibrium zero-temperature lattice constant for fcc Zr v007 view
LatticeConstantCubicEnergy_sc_Zr__TE_107850120912_005 Equilibrium zero-temperature lattice constant for sc Zr view
LatticeConstantCubicEnergy_sc_Zr__TE_107850120912_006 Equilibrium zero-temperature lattice constant for sc Zr view
LatticeConstantCubicEnergy_sc_Zr__TE_107850120912_007 Equilibrium zero-temperature lattice constant for sc Zr v007 view
LatticeConstantHexagonalEnergy_hcp_Zr__TE_888140777754_004 Equilibrium lattice constants for hcp Zr view
LatticeConstantHexagonalEnergy_hcp_Zr__TE_888140777754_005 Equilibrium lattice constants for hcp Zr v005 view
VacancyFormationEnergyRelaxationVolume_hcp_Zr__TE_109617109098_001 Monovacancy formation energy and relaxation volume for hcp Zr view
VacancyFormationMigration_hcp_Zr__TE_178839066650_001 Vacancy formation and migration energy for hcp Zr view
EAM_Dynamo_Ackland_1987_Au__MO_754413982908_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_002 Cohesive energy versus lattice constant curve for bcc Gold view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_003 Cohesive energy versus lattice constant curve for bcc Au v003 view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_004 Cohesive energy versus lattice constant curve for bcc Au v004 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_002 Cohesive energy versus lattice constant curve for diamond Gold view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_003 Cohesive energy versus lattice constant curve for diamond Au v003 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_004 Cohesive energy versus lattice constant curve for diamond Au v004 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_002 Cohesive energy versus lattice constant curve for fcc Gold view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_003 Cohesive energy versus lattice constant curve for fcc Au v003 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_004 Cohesive energy versus lattice constant curve for fcc Au v004 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_002 Cohesive energy versus lattice constant curve for sc Gold view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_003 Cohesive energy versus lattice constant curve for sc Au v003 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_004 Cohesive energy versus lattice constant curve for sc Au v004 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_004 Elastic constants for bcc Au at zero temperature view
ElasticConstantsCubic_bcc_Au__TE_331337049300_005 Elastic constants for bcc Au at zero temperature v005 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_006 Elastic constants for bcc Au at zero temperature v006 view
ElasticConstantsCubic_diamond_Au__TE_692527459863_001 Elastic constants for diamond Au at zero temperature v001 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_004 Elastic constants for fcc Au at zero temperature view
ElasticConstantsCubic_fcc_Au__TE_955259038482_005 Elastic constants for fcc Au at zero temperature v005 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_006 Elastic constants for fcc Au at zero temperature v006 view
ElasticConstantsCubic_sc_Au__TE_292034176243_004 Elastic constants for sc Au at zero temperature view
ElasticConstantsCubic_sc_Au__TE_292034176243_005 Elastic constants for sc Au at zero temperature v005 view
ElasticConstantsCubic_sc_Au__TE_292034176243_006 Elastic constants for sc Au at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_003 Elastic constants for hcp Au at zero temperature view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_004 Elastic constants for hcp Au at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_000 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_001 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Au__TE_320230245451_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Au__TE_816974134313_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Au__TE_373007705580_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Au v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Au__TE_190867597669_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Au v000 view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_005 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_006 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_007 Equilibrium zero-temperature lattice constant for bcc Au v007 view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_005 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_006 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_007 Equilibrium zero-temperature lattice constant for diamond Au v007 view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_005 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_006 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_007 Equilibrium zero-temperature lattice constant for fcc Au v007 view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_005 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_006 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_007 Equilibrium zero-temperature lattice constant for sc Au v007 view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_004 Equilibrium lattice constants for hcp Au view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_005 Equilibrium lattice constants for hcp Au v005 view
LinearThermalExpansionCoeffCubic_fcc_Au__TE_173429922932_001 Linear thermal expansion coefficient of fcc Au at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Au__TE_171727129373_003 Phonon dispersion relations for fcc Au view
PhononDispersionCurve_fcc_Au__TE_171727129373_004 Phonon dispersion relations for fcc Au v004 view
StackingFaultFccCrystal_0bar_Au__TE_843792000528_002 Stacking and twinning fault energies for fcc Au v002 view
StackingFaultFccCrystal_Au_0bar__TE_843792000528_001 Stacking and twinning fault energies for fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_003 Broken-bond fit of high-symmetry surface energies in fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004 Broken-bond fit of high-symmetry surface energies in fcc Au v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001 Monovacancy formation energy and relaxation volume for fcc Au view
VacancyFormationMigration_fcc_Au__TE_591056455495_001 Vacancy formation and migration energy for fcc Au view
EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_002 Cohesive energy versus lattice constant curve for bcc Titanium view
CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_003 Cohesive energy versus lattice constant curve for bcc Ti v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_004 Cohesive energy versus lattice constant curve for bcc Ti v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ti__TE_804305295553_002 Cohesive energy versus lattice constant curve for diamond Titanium view
CohesiveEnergyVsLatticeConstant_diamond_Ti__TE_804305295553_003 Cohesive energy versus lattice constant curve for diamond Ti v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ti__TE_804305295553_004 Cohesive energy versus lattice constant curve for diamond Ti v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ti__TE_406056102498_002 Cohesive energy versus lattice constant curve for fcc Titanium view
CohesiveEnergyVsLatticeConstant_fcc_Ti__TE_406056102498_003 Cohesive energy versus lattice constant curve for fcc Ti v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ti__TE_406056102498_004 Cohesive energy versus lattice constant curve for fcc Ti v004 view
CohesiveEnergyVsLatticeConstant_sc_Ti__TE_376517511478_002 Cohesive energy versus lattice constant curve for sc Titanium view
CohesiveEnergyVsLatticeConstant_sc_Ti__TE_376517511478_003 Cohesive energy versus lattice constant curve for sc Ti v003 view
CohesiveEnergyVsLatticeConstant_sc_Ti__TE_376517511478_004 Cohesive energy versus lattice constant curve for sc Ti v004 view
ElasticConstantsCubic_bcc_Ti__TE_530002460811_004 Elastic constants for bcc Ti at zero temperature view
ElasticConstantsCubic_bcc_Ti__TE_530002460811_005 Elastic constants for bcc Ti at zero temperature v005 view
ElasticConstantsCubic_bcc_Ti__TE_530002460811_006 Elastic constants for bcc Ti at zero temperature v006 view
ElasticConstantsCubic_fcc_Ti__TE_944384516355_004 Elastic constants for fcc Ti at zero temperature view
ElasticConstantsCubic_fcc_Ti__TE_944384516355_005 Elastic constants for fcc Ti at zero temperature v005 view
ElasticConstantsCubic_fcc_Ti__TE_944384516355_006 Elastic constants for fcc Ti at zero temperature v006 view
ElasticConstantsCubic_sc_Ti__TE_457585945605_004 Elastic constants for sc Ti at zero temperature view
ElasticConstantsCubic_sc_Ti__TE_457585945605_005 Elastic constants for sc Ti at zero temperature v005 view
ElasticConstantsCubic_sc_Ti__TE_457585945605_006 Elastic constants for sc Ti at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ti__TE_148372627069_003 Elastic constants for hcp Ti at zero temperature view
ElasticConstantsHexagonal_hcp_Ti__TE_148372627069_004 Elastic constants for hcp Ti at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ti__TE_581256035846_001 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ti__TE_581256035846_002 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ti__TE_320708098501_000 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ti__TE_320708098501_001 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ti__TE_320708098501_002 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ti__TE_650953814278_001 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ti__TE_650953814278_002 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP3_191_ad_Ti__TE_521642376829_000 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_hP3_191_ad v000 view
EquilibriumCrystalStructure_A_hP3_191_ad_Ti__TE_521642376829_001 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_hP3_191_ad v001 view
EquilibriumCrystalStructure_A_hP3_191_ad_Ti__TE_521642376829_002 Equilibrium crystal structure and energy for Ti in AFLOW crystal prototype A_hP3_191_ad v002 view
LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_005 Equilibrium zero-temperature lattice constant for bcc Ti view
LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_006 Equilibrium zero-temperature lattice constant for bcc Ti view
LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_007 Equilibrium zero-temperature lattice constant for bcc Ti v007 view
LatticeConstantCubicEnergy_diamond_Ti__TE_302148205183_005 Equilibrium zero-temperature lattice constant for diamond Ti view
LatticeConstantCubicEnergy_diamond_Ti__TE_302148205183_006 Equilibrium zero-temperature lattice constant for diamond Ti view
LatticeConstantCubicEnergy_diamond_Ti__TE_302148205183_007 Equilibrium zero-temperature lattice constant for diamond Ti v007 view
LatticeConstantCubicEnergy_fcc_Ti__TE_652085158810_005 Equilibrium zero-temperature lattice constant for fcc Ti view
LatticeConstantCubicEnergy_fcc_Ti__TE_652085158810_006 Equilibrium zero-temperature lattice constant for fcc Ti view
LatticeConstantCubicEnergy_fcc_Ti__TE_652085158810_007 Equilibrium zero-temperature lattice constant for fcc Ti v007 view
LatticeConstantCubicEnergy_sc_Ti__TE_129979632673_005 Equilibrium zero-temperature lattice constant for sc Ti view
LatticeConstantCubicEnergy_sc_Ti__TE_129979632673_006 Equilibrium zero-temperature lattice constant for sc Ti view
LatticeConstantCubicEnergy_sc_Ti__TE_129979632673_007 Equilibrium zero-temperature lattice constant for sc Ti v007 view
LatticeConstantHexagonalEnergy_hcp_Ti__TE_433102354515_004 Equilibrium lattice constants for hcp Ti view
LatticeConstantHexagonalEnergy_hcp_Ti__TE_433102354515_005 Equilibrium lattice constants for hcp Ti v005 view
VacancyFormationEnergyRelaxationVolume_hcp_Ti__TE_604598551707_001 Monovacancy formation energy and relaxation volume for hcp Ti view
VacancyFormationMigration_hcp_Ti__TE_626277981382_001 Vacancy formation and migration energy for hcp Ti view
EAM_Dynamo_Ackland_2003_W__MO_141627196590_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_002 Cohesive energy versus lattice constant curve for bcc Tungsten view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_003 Cohesive energy versus lattice constant curve for bcc W v003 view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_004 Cohesive energy versus lattice constant curve for bcc W v004 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_002 Cohesive energy versus lattice constant curve for diamond Tungsten view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_003 Cohesive energy versus lattice constant curve for diamond W v003 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_004 Cohesive energy versus lattice constant curve for diamond W v004 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_002 Cohesive energy versus lattice constant curve for fcc Tungsten view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_003 Cohesive energy versus lattice constant curve for fcc W v003 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_004 Cohesive energy versus lattice constant curve for fcc W v004 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_002 Cohesive energy versus lattice constant curve for sc Tungsten view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_003 Cohesive energy versus lattice constant curve for sc W v003 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_004 Cohesive energy versus lattice constant curve for sc W v004 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_001__TE_813608849396_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [0, 0, 1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_110__TE_050085917986_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 0] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_111__TE_484207052653_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_112__TE_867105919092_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 2] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_113__TE_774980314164_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_114__TE_854455095649_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 4] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_115__TE_958166117724_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_116__TE_335490604794_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 6] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_117__TE_530110804388_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 7] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_11m1__TE_630212150898_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, -1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_11m2__TE_298228674289_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, -2] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_223__TE_224019539634_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_225__TE_086166988434_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m1__TE_805197882949_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m3__TE_481639318205_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -3] v000 view
ElasticConstantsCubic_bcc_W__TE_866278965431_004 Elastic constants for bcc W at zero temperature view
ElasticConstantsCubic_bcc_W__TE_866278965431_005 Elastic constants for bcc W at zero temperature v005 view
ElasticConstantsCubic_bcc_W__TE_866278965431_006 Elastic constants for bcc W at zero temperature v006 view
ElasticConstantsCubic_diamond_W__TE_395068339131_000 Elastic constants for diamond W at zero temperature v000 view
ElasticConstantsCubic_diamond_W__TE_395068339131_001 Elastic constants for diamond W at zero temperature v001 view
ElasticConstantsCubic_fcc_W__TE_107628130267_004 Elastic constants for fcc W at zero temperature view
ElasticConstantsCubic_fcc_W__TE_107628130267_005 Elastic constants for fcc W at zero temperature v005 view
ElasticConstantsCubic_fcc_W__TE_107628130267_006 Elastic constants for fcc W at zero temperature v006 view
ElasticConstantsCubic_sc_W__TE_403249981369_004 Elastic constants for sc W at zero temperature view
ElasticConstantsCubic_sc_W__TE_403249981369_005 Elastic constants for sc W at zero temperature v005 view
ElasticConstantsCubic_sc_W__TE_403249981369_006 Elastic constants for sc W at zero temperature v006 view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_003 Elastic constants for hcp W at zero temperature view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_004 Elastic constants for hcp W at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v000 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v001 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v002 view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_005 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_006 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_007 Equilibrium zero-temperature lattice constant for bcc W v007 view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_005 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_006 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_007 Equilibrium zero-temperature lattice constant for diamond W v007 view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_005 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_006 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_007 Equilibrium zero-temperature lattice constant for fcc W v007 view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_005 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_006 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_007 Equilibrium zero-temperature lattice constant for sc W v007 view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_004 Equilibrium lattice constants for hcp W view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_005 Equilibrium lattice constants for hcp W v005 view
LinearThermalExpansionCoeff_bcc_W__TE_489123578653_002 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_W__TE_489123578653_001 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v001 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_003 Broken-bond fit of high-symmetry surface energies in bcc W view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_004 Broken-bond fit of high-symmetry surface energies in bcc W v004 view
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_001 Monovacancy formation energy and relaxation volume for bcc W view
VacancyFormationMigration_bcc_W__TE_485565507879_001 Vacancy formation and migration energy for bcc W view
EAM_Dynamo_Ackland_Bacon_Fe__MO_142799717516_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_001 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_001 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_001 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_001 Cohesive energy versus lattice constant curve for sc Iron view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_003 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_003 Elastic constants for fcc Fe at zero temperature view
ElasticConstantsCubic_sc_Fe__TE_828391579283_003 Elastic constants for sc Fe at zero temperature view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_002 Elastic constants for hcp Fe at zero temperature view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_004 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_004 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_004 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_004 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_003 Equilibrium lattice constants for hcp Fe view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_000 Linear thermal expansion coefficient of bcc Fe at room temperature under zero pressure view
SurfaceTest_bcc_Fe__TE_493894422725_002 Broken-bond fit of high-symmetry surface energies in bcc Fe view
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_000 Monovacancy formation energy and relaxation volume for bcc Fe view
VacancyFormationMigration_bcc_Fe__TE_424131500075_000 Vacancy formation and migration energy for bcc Fe view
EAM_Dynamo_Ackland_Mendelev_FeP__MO_884343146310_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_001 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_bcc_P__TE_061019313203_001 Cohesive energy versus lattice constant curve for bcc Phosphorus view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_001 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_diamond_P__TE_873533927527_001 Cohesive energy versus lattice constant curve for diamond Phosphorus view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_001 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_fcc_P__TE_280916163737_001 Cohesive energy versus lattice constant curve for fcc Phosphorus view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_001 Cohesive energy versus lattice constant curve for sc Iron view
CohesiveEnergyVsLatticeConstant_sc_P__TE_721338325990_001 Cohesive energy versus lattice constant curve for sc Phosphorus view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_003 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_bcc_P__TE_423598108018_003 Elastic constants for bcc P at zero temperature view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_003 Elastic constants for fcc Fe at zero temperature view
ElasticConstantsCubic_fcc_P__TE_329109115138_003 Elastic constants for fcc P at zero temperature view
ElasticConstantsCubic_sc_Fe__TE_828391579283_003 Elastic constants for sc Fe at zero temperature view
ElasticConstantsCubic_sc_P__TE_446564879193_003 Elastic constants for sc P at zero temperature view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_002 Elastic constants for hcp Fe at zero temperature view
ElasticConstantsHexagonal_hcp_P__TE_148373543179_002 Elastic constants for hcp P at zero temperature view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_004 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_P__TE_758553526818_004 Equilibrium zero-temperature lattice constant for bcc P view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_004 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_P__TE_222583751475_004 Equilibrium zero-temperature lattice constant for diamond P view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_004 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_P__TE_810163001739_004 Equilibrium zero-temperature lattice constant for fcc P view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_004 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_P__TE_291486987207_004 Equilibrium zero-temperature lattice constant for sc P view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_003 Equilibrium lattice constants for hcp Fe view
LatticeConstantHexagonalEnergy_hcp_P__TE_419634082501_003 Equilibrium lattice constants for hcp P view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_000 Linear thermal expansion coefficient of bcc Fe at room temperature under zero pressure view
SurfaceTest_bcc_Fe__TE_493894422725_002 Broken-bond fit of high-symmetry surface energies in bcc Fe view
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_000 Monovacancy formation energy and relaxation volume for bcc Fe view
VacancyFormationMigration_bcc_Fe__TE_424131500075_000 Vacancy formation and migration energy for bcc Fe view
EAM_Dynamo_Ackland_Ti__MO_748534961139_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_001 Cohesive energy versus lattice constant curve for bcc Titanium view
CohesiveEnergyVsLatticeConstant_diamond_Ti__TE_804305295553_001 Cohesive energy versus lattice constant curve for diamond Titanium view
CohesiveEnergyVsLatticeConstant_fcc_Ti__TE_406056102498_001 Cohesive energy versus lattice constant curve for fcc Titanium view
CohesiveEnergyVsLatticeConstant_sc_Ti__TE_376517511478_001 Cohesive energy versus lattice constant curve for sc Titanium view
ElasticConstantsCubic_bcc_Ti__TE_530002460811_003 Elastic constants for bcc Ti at zero temperature view
ElasticConstantsCubic_fcc_Ti__TE_944384516355_003 Elastic constants for fcc Ti at zero temperature view
ElasticConstantsCubic_sc_Ti__TE_457585945605_003 Elastic constants for sc Ti at zero temperature view
ElasticConstantsHexagonal_hcp_Ti__TE_148372627069_002 Elastic constants for hcp Ti at zero temperature view
LatticeConstantCubicEnergy_bcc_Ti__TE_679433293274_004 Equilibrium zero-temperature lattice constant for bcc Ti view
LatticeConstantCubicEnergy_diamond_Ti__TE_302148205183_004 Equilibrium zero-temperature lattice constant for diamond Ti view
LatticeConstantCubicEnergy_fcc_Ti__TE_652085158810_004 Equilibrium zero-temperature lattice constant for fcc Ti view
LatticeConstantCubicEnergy_sc_Ti__TE_129979632673_004 Equilibrium zero-temperature lattice constant for sc Ti view
LatticeConstantHexagonalEnergy_hcp_Ti__TE_433102354515_003 Equilibrium lattice constants for hcp Ti view
VacancyFormationEnergyRelaxationVolume_hcp_Ti__TE_604598551707_000 Monovacancy formation energy and relaxation volume for hcp Ti view
VacancyFormationMigration_hcp_Ti__TE_626277981382_000 Vacancy formation and migration energy for hcp Ti view
EAM_Dynamo_Ackland_Tichy_Ag__MO_212700056563_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_001 Cohesive energy versus lattice constant curve for bcc Silver view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_001 Cohesive energy versus lattice constant curve for diamond Silver view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_001 Cohesive energy versus lattice constant curve for fcc Silver view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_001 Cohesive energy versus lattice constant curve for sc Silver view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_003 Elastic constants for bcc Ag at zero temperature view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_003 Elastic constants for fcc Ag at zero temperature view
ElasticConstantsCubic_sc_Ag__TE_042440763055_003 Elastic constants for sc Ag at zero temperature view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_002 Elastic constants for hcp Ag at zero temperature view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_004 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_004 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_004 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_004 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_003 Equilibrium lattice constants for hcp Ag view
LinearThermalExpansionCoeff_fcc_Ag__TE_016048498506_000 Linear thermal expansion coefficient of fcc Ag at room temperature under zero pressure view
PhononDispersionCurve_fcc_Ag__TE_916421991486_002 Phonon dispersion relations for fcc Ag view
StackingFaultFccCrystal_Ag_0bar__TE_802425246128_000 Stacking and twinning fault energies for fcc Ag view
SurfaceTest_fcc_Ag__TE_069649486058_002 Broken-bond fit of high-symmetry surface energies in fcc Ag view
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_000 Monovacancy formation energy and relaxation volume for fcc Ag view
VacancyFormationMigration_fcc_Ag__TE_930419041081_000 Vacancy formation and migration energy for fcc Ag view
EAM_Dynamo_Ackland_Tichy_Au__MO_104891429740_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_001 Cohesive energy versus lattice constant curve for bcc Gold view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_001 Cohesive energy versus lattice constant curve for diamond Gold view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_001 Cohesive energy versus lattice constant curve for fcc Gold view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_001 Cohesive energy versus lattice constant curve for sc Gold view
ElasticConstantsCubic_bcc_Au__TE_331337049300_003 Elastic constants for bcc Au at zero temperature view
ElasticConstantsCubic_fcc_Au__TE_955259038482_003 Elastic constants for fcc Au at zero temperature view
ElasticConstantsCubic_sc_Au__TE_292034176243_003 Elastic constants for sc Au at zero temperature view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_002 Elastic constants for hcp Au at zero temperature view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_004 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_004 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_004 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_004 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_003 Equilibrium lattice constants for hcp Au view
LinearThermalExpansionCoeff_fcc_Au__TE_173429922932_000 Linear thermal expansion coefficient of fcc Au at room temperature under zero pressure view
PhononDispersionCurve_fcc_Au__TE_171727129373_002 Phonon dispersion relations for fcc Au view
StackingFaultFccCrystal_Au_0bar__TE_843792000528_000 Stacking and twinning fault energies for fcc Au view
SurfaceTest_fcc_Au__TE_440844375214_002 Broken-bond fit of high-symmetry surface energies in fcc Au view
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_000 Monovacancy formation energy and relaxation volume for fcc Au view
VacancyFormationMigration_fcc_Au__TE_591056455495_000 Vacancy formation and migration energy for fcc Au view
EAM_Dynamo_Ackland_Tichy_Cu__MO_179025990738_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_001 Cohesive energy versus lattice constant curve for bcc Copper view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_001 Cohesive energy versus lattice constant curve for diamond Copper view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_001 Cohesive energy versus lattice constant curve for fcc Copper view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_001 Cohesive energy versus lattice constant curve for sc Copper view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_003 Elastic constants for bcc Cu at zero temperature view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_003 Elastic constants for fcc Cu at zero temperature view
ElasticConstantsCubic_sc_Cu__TE_319353354686_003 Elastic constants for sc Cu at zero temperature view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_002 Elastic constants for hcp Cu at zero temperature view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_004 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_004 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_004 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_004 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_003 Equilibrium lattice constants for hcp Cu view
LatticeInvariantShearPathCubicCrystalCBKIM_bcc_Cu__TE_946706801883_000 Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for bcc Cu view
LatticeInvariantShearPathCubicCrystalCBKIM_fcc_Cu__TE_376068270983_000 Cohesive energy versus <-1 1 0>{1 1 1} shear parameter relation for fcc Cu view
LinearThermalExpansionCoeff_fcc_Cu__TE_335019190158_000 Linear thermal expansion coefficient of fcc Cu at room temperature under zero pressure view
PhononDispersionCurve_fcc_Cu__TE_575177044018_002 Phonon dispersion relations for fcc Cu view
StackingFaultFccCrystal_Cu_0bar__TE_090810770014_000 Stacking and twinning fault energies for fcc Cu view
SurfaceTest_fcc_Cu__TE_689904280697_002 Broken-bond fit of high-symmetry surface energies in fcc Cu view
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_000 Monovacancy formation energy and relaxation volume for fcc Cu view
VacancyFormationMigration_fcc_Cu__TE_038488899376_000 Vacancy formation and migration energy for fcc Cu view
EAM_Dynamo_Ackland_Tichy_Ni__MO_977363131043_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_001 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_001 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_001 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_001 Cohesive energy versus lattice constant curve for sc Nickel view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_003 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_003 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_003 Elastic constants for sc Ni at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_002 Elastic constants for hcp Ni at zero temperature view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_004 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_004 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_004 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_004 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_003 Equilibrium lattice constants for hcp Ni view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_000 Linear thermal expansion coefficient of fcc Ni at room temperature under zero pressure view
PhononDispersionCurve_fcc_Ni__TE_948896757313_002 Phonon dispersion relations for fcc Ni view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_000 Stacking and twinning fault energies for fcc Ni view
SurfaceTest_fcc_Ni__TE_692192937218_002 Broken-bond fit of high-symmetry surface energies in fcc Ni view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_000 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_Ackland_W__MO_141627196590_004
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_001 Cohesive energy versus lattice constant curve for bcc Tungsten view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_001 Cohesive energy versus lattice constant curve for diamond Tungsten view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_001 Cohesive energy versus lattice constant curve for fcc Tungsten view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_001 Cohesive energy versus lattice constant curve for sc Tungsten view
ElasticConstantsCubic_bcc_W__TE_866278965431_003 Elastic constants for bcc W at zero temperature view
ElasticConstantsCubic_fcc_W__TE_107628130267_003 Elastic constants for fcc W at zero temperature view
ElasticConstantsCubic_sc_W__TE_403249981369_003 Elastic constants for sc W at zero temperature view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_002 Elastic constants for hcp W at zero temperature view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_004 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_004 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_004 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_004 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_003 Equilibrium lattice constants for hcp W view
LinearThermalExpansionCoeff_bcc_W__TE_489123578653_000 Linear thermal expansion coefficient of bcc W at room temperature under zero pressure view
SurfaceTest_bcc_W__TE_378149060769_002 Broken-bond fit of high-symmetry surface energies in bcc W view
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_000 Monovacancy formation energy and relaxation volume for bcc W view
VacancyFormationMigration_bcc_W__TE_485565507879_000 Vacancy formation and migration energy for bcc W view
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_002 Cohesive energy versus lattice constant curve for bcc Silver view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_003 Cohesive energy versus lattice constant curve for bcc Ag v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ag__TE_776768886429_004 Cohesive energy versus lattice constant curve for bcc Ag v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_002 Cohesive energy versus lattice constant curve for diamond Silver view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_003 Cohesive energy versus lattice constant curve for diamond Ag v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ag__TE_267703329770_004 Cohesive energy versus lattice constant curve for diamond Ag v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_002 Cohesive energy versus lattice constant curve for fcc Silver view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_003 Cohesive energy versus lattice constant curve for fcc Ag v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ag__TE_295388173914_004 Cohesive energy versus lattice constant curve for fcc Ag v004 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_002 Cohesive energy versus lattice constant curve for sc Silver view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_003 Cohesive energy versus lattice constant curve for sc Ag v003 view
CohesiveEnergyVsLatticeConstant_sc_Ag__TE_229146981356_004 Cohesive energy versus lattice constant curve for sc Ag v004 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_004 Elastic constants for bcc Ag at zero temperature view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_005 Elastic constants for bcc Ag at zero temperature v005 view
ElasticConstantsCubic_bcc_Ag__TE_800990874257_006 Elastic constants for bcc Ag at zero temperature v006 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_004 Elastic constants for fcc Ag at zero temperature view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_005 Elastic constants for fcc Ag at zero temperature v005 view
ElasticConstantsCubic_fcc_Ag__TE_058380161986_006 Elastic constants for fcc Ag at zero temperature v006 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_004 Elastic constants for sc Ag at zero temperature view
ElasticConstantsCubic_sc_Ag__TE_042440763055_005 Elastic constants for sc Ag at zero temperature v005 view
ElasticConstantsCubic_sc_Ag__TE_042440763055_006 Elastic constants for sc Ag at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_003 Elastic constants for hcp Ag at zero temperature view
ElasticConstantsHexagonal_hcp_Ag__TE_568716778280_004 Elastic constants for hcp Ag at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ag__TE_960680847270_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ag__TE_902368553248_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_000 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v000 view
EquilibriumCrystalStructure_A_hP4_194_ac_Ag__TE_623825242062_001 Equilibrium crystal structure and energy for Ag in AFLOW crystal prototype A_hP4_194_ac v001 view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_005 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_006 Equilibrium zero-temperature lattice constant for bcc Ag view
LatticeConstantCubicEnergy_bcc_Ag__TE_162589006162_007 Equilibrium zero-temperature lattice constant for bcc Ag v007 view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_005 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_006 Equilibrium zero-temperature lattice constant for diamond Ag view
LatticeConstantCubicEnergy_diamond_Ag__TE_188192567838_007 Equilibrium zero-temperature lattice constant for diamond Ag v007 view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_005 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_006 Equilibrium zero-temperature lattice constant for fcc Ag view
LatticeConstantCubicEnergy_fcc_Ag__TE_772075082810_007 Equilibrium zero-temperature lattice constant for fcc Ag v007 view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_005 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_006 Equilibrium zero-temperature lattice constant for sc Ag view
LatticeConstantCubicEnergy_sc_Ag__TE_222254896070_007 Equilibrium zero-temperature lattice constant for sc Ag v007 view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_004 Equilibrium lattice constants for hcp Ag view
LatticeConstantHexagonalEnergy_hcp_Ag__TE_760885515687_005 Equilibrium lattice constants for hcp Ag v005 view
LinearThermalExpansionCoeffCubic_fcc_Ag__TE_016048498506_001 Linear thermal expansion coefficient of fcc Ag at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ag__TE_916421991486_003 Phonon dispersion relations for fcc Ag view
PhononDispersionCurve_fcc_Ag__TE_916421991486_004 Phonon dispersion relations for fcc Ag v004 view
StackingFaultFccCrystal_0bar_Ag__TE_802425246128_002 Stacking and twinning fault energies for fcc Ag v002 view
StackingFaultFccCrystal_Ag_0bar__TE_802425246128_001 Stacking and twinning fault energies for fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_003 Broken-bond fit of high-symmetry surface energies in fcc Ag view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ag__TE_069649486058_004 Broken-bond fit of high-symmetry surface energies in fcc Ag v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ag__TE_637108138696_001 Monovacancy formation energy and relaxation volume for fcc Ag view
VacancyFormationMigration_fcc_Ag__TE_930419041081_001 Vacancy formation and migration energy for fcc Ag view
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_002 Cohesive energy versus lattice constant curve for bcc Copper view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_003 Cohesive energy versus lattice constant curve for bcc Cu v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cu__TE_864632638496_004 Cohesive energy versus lattice constant curve for bcc Cu v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_002 Cohesive energy versus lattice constant curve for diamond Copper view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_003 Cohesive energy versus lattice constant curve for diamond Cu v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cu__TE_596332570306_004 Cohesive energy versus lattice constant curve for diamond Cu v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_002 Cohesive energy versus lattice constant curve for fcc Copper view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_003 Cohesive energy versus lattice constant curve for fcc Cu v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cu__TE_311348891940_004 Cohesive energy versus lattice constant curve for fcc Cu v004 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_002 Cohesive energy versus lattice constant curve for sc Copper view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_003 Cohesive energy versus lattice constant curve for sc Cu v003 view
CohesiveEnergyVsLatticeConstant_sc_Cu__TE_767437873249_004 Cohesive energy versus lattice constant curve for sc Cu v004 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_004 Elastic constants for bcc Cu at zero temperature view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_005 Elastic constants for bcc Cu at zero temperature v005 view
ElasticConstantsCubic_bcc_Cu__TE_091603841600_006 Elastic constants for bcc Cu at zero temperature v006 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_004 Elastic constants for fcc Cu at zero temperature view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_005 Elastic constants for fcc Cu at zero temperature v005 view
ElasticConstantsCubic_fcc_Cu__TE_188557531340_006 Elastic constants for fcc Cu at zero temperature v006 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_004 Elastic constants for sc Cu at zero temperature view
ElasticConstantsCubic_sc_Cu__TE_319353354686_005 Elastic constants for sc Cu at zero temperature v005 view
ElasticConstantsCubic_sc_Cu__TE_319353354686_006 Elastic constants for sc Cu at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_003 Elastic constants for hcp Cu at zero temperature view
ElasticConstantsHexagonal_hcp_Cu__TE_198002759922_004 Elastic constants for hcp Cu at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Cu__TE_837916119813_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_000 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Cu__TE_664287069231_001 Equilibrium crystal structure and energy for Cu in AFLOW crystal prototype A_cI2_229_a v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Cu__TE_529988253259_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Cu__TE_708214008908_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Cu__TE_603516505525_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Cu v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Cu__TE_288691353820_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Cu v000 view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_005 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_006 Equilibrium zero-temperature lattice constant for bcc Cu view
LatticeConstantCubicEnergy_bcc_Cu__TE_873531926707_007 Equilibrium zero-temperature lattice constant for bcc Cu v007 view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_005 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_006 Equilibrium zero-temperature lattice constant for diamond Cu view
LatticeConstantCubicEnergy_diamond_Cu__TE_939141232476_007 Equilibrium zero-temperature lattice constant for diamond Cu v007 view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_005 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_006 Equilibrium zero-temperature lattice constant for fcc Cu view
LatticeConstantCubicEnergy_fcc_Cu__TE_387272513402_007 Equilibrium zero-temperature lattice constant for fcc Cu v007 view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_005 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_006 Equilibrium zero-temperature lattice constant for sc Cu view
LatticeConstantCubicEnergy_sc_Cu__TE_904717264736_007 Equilibrium zero-temperature lattice constant for sc Cu v007 view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_004 Equilibrium lattice constants for hcp Cu view
LatticeConstantHexagonalEnergy_hcp_Cu__TE_344176839725_005 Equilibrium lattice constants for hcp Cu v005 view
LinearThermalExpansionCoeffCubic_fcc_Cu__TE_335019190158_001 Linear thermal expansion coefficient of fcc Cu at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Cu__TE_575177044018_003 Phonon dispersion relations for fcc Cu view
PhononDispersionCurve_fcc_Cu__TE_575177044018_004 Phonon dispersion relations for fcc Cu v004 view
StackingFaultFccCrystal_0bar_Cu__TE_090810770014_002 Stacking and twinning fault energies for fcc Cu v002 view
StackingFaultFccCrystal_Cu_0bar__TE_090810770014_001 Stacking and twinning fault energies for fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_003 Broken-bond fit of high-symmetry surface energies in fcc Cu view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004 Broken-bond fit of high-symmetry surface energies in fcc Cu v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Cu__TE_864259611541_001 Monovacancy formation energy and relaxation volume for fcc Cu view
VacancyFormationMigration_fcc_Cu__TE_038488899376_001 Vacancy formation and migration energy for fcc Cu view
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_005 Elastic constants for bcc Ni at zero temperature v005 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_005 Elastic constants for fcc Ni at zero temperature v005 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_004 Elastic constants for sc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_005 Elastic constants for sc Ni at zero temperature v005 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_003 Elastic constants for hcp Ni at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_004 Elastic constants for hcp Ni at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_005 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_006 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_005 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_006 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_005 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_006 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_005 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_006 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_004 Equilibrium lattice constants for hcp Ni view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_003 Phonon dispersion relations for fcc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_001 Stacking and twinning fault energies for fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_003 Broken-bond fit of high-symmetry surface energies in fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Pd__TE_841872680848_002 Cohesive energy versus lattice constant curve for bcc Palladium view
CohesiveEnergyVsLatticeConstant_bcc_Pd__TE_841872680848_003 Cohesive energy versus lattice constant curve for bcc Pd v003 view
CohesiveEnergyVsLatticeConstant_bcc_Pd__TE_841872680848_004 Cohesive energy versus lattice constant curve for bcc Pd v004 view
CohesiveEnergyVsLatticeConstant_diamond_Pd__TE_609472286246_002 Cohesive energy versus lattice constant curve for diamond Palladium view
CohesiveEnergyVsLatticeConstant_diamond_Pd__TE_609472286246_003 Cohesive energy versus lattice constant curve for diamond Pd v003 view
CohesiveEnergyVsLatticeConstant_diamond_Pd__TE_609472286246_004 Cohesive energy versus lattice constant curve for diamond Pd v004 view
CohesiveEnergyVsLatticeConstant_fcc_Pd__TE_097731785709_002 Cohesive energy versus lattice constant curve for fcc Palladium view
CohesiveEnergyVsLatticeConstant_fcc_Pd__TE_097731785709_003 Cohesive energy versus lattice constant curve for fcc Pd v003 view
CohesiveEnergyVsLatticeConstant_fcc_Pd__TE_097731785709_004 Cohesive energy versus lattice constant curve for fcc Pd v004 view
CohesiveEnergyVsLatticeConstant_sc_Pd__TE_918679724738_002 Cohesive energy versus lattice constant curve for sc Palladium view
CohesiveEnergyVsLatticeConstant_sc_Pd__TE_918679724738_003 Cohesive energy versus lattice constant curve for sc Pd v003 view
CohesiveEnergyVsLatticeConstant_sc_Pd__TE_918679724738_004 Cohesive energy versus lattice constant curve for sc Pd v004 view
ElasticConstantsCubic_bcc_Pd__TE_140814555761_004 Elastic constants for bcc Pd at zero temperature view
ElasticConstantsCubic_bcc_Pd__TE_140814555761_005 Elastic constants for bcc Pd at zero temperature v005 view
ElasticConstantsCubic_bcc_Pd__TE_140814555761_006 Elastic constants for bcc Pd at zero temperature v006 view
ElasticConstantsCubic_fcc_Pd__TE_072068804815_004 Elastic constants for fcc Pd at zero temperature view
ElasticConstantsCubic_fcc_Pd__TE_072068804815_005 Elastic constants for fcc Pd at zero temperature v005 view
ElasticConstantsCubic_fcc_Pd__TE_072068804815_006 Elastic constants for fcc Pd at zero temperature v006 view
ElasticConstantsCubic_sc_Pd__TE_671746005240_004 Elastic constants for sc Pd at zero temperature view
ElasticConstantsCubic_sc_Pd__TE_671746005240_005 Elastic constants for sc Pd at zero temperature v005 view
ElasticConstantsCubic_sc_Pd__TE_671746005240_006 Elastic constants for sc Pd at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Pd__TE_339673259993_003 Elastic constants for hcp Pd at zero temperature view
ElasticConstantsHexagonal_hcp_Pd__TE_339673259993_004 Elastic constants for hcp Pd at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Pd__TE_243571730821_000 Equilibrium crystal structure and energy for Pd in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Pd__TE_243571730821_001 Equilibrium crystal structure and energy for Pd in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Pd__TE_243571730821_002 Equilibrium crystal structure and energy for Pd in AFLOW crystal prototype A_cF4_225_a v002 view
LatticeConstantCubicEnergy_bcc_Pd__TE_749274401775_005 Equilibrium zero-temperature lattice constant for bcc Pd view
LatticeConstantCubicEnergy_bcc_Pd__TE_749274401775_006 Equilibrium zero-temperature lattice constant for bcc Pd view
LatticeConstantCubicEnergy_bcc_Pd__TE_749274401775_007 Equilibrium zero-temperature lattice constant for bcc Pd v007 view
LatticeConstantCubicEnergy_diamond_Pd__TE_433456892179_005 Equilibrium zero-temperature lattice constant for diamond Pd view
LatticeConstantCubicEnergy_diamond_Pd__TE_433456892179_006 Equilibrium zero-temperature lattice constant for diamond Pd view
LatticeConstantCubicEnergy_diamond_Pd__TE_433456892179_007 Equilibrium zero-temperature lattice constant for diamond Pd v007 view
LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_005 Equilibrium zero-temperature lattice constant for fcc Pd view
LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_006 Equilibrium zero-temperature lattice constant for fcc Pd view
LatticeConstantCubicEnergy_fcc_Pd__TE_672364050449_007 Equilibrium zero-temperature lattice constant for fcc Pd v007 view
LatticeConstantCubicEnergy_sc_Pd__TE_259881166173_005 Equilibrium zero-temperature lattice constant for sc Pd view
LatticeConstantCubicEnergy_sc_Pd__TE_259881166173_006 Equilibrium zero-temperature lattice constant for sc Pd view
LatticeConstantCubicEnergy_sc_Pd__TE_259881166173_007 Equilibrium zero-temperature lattice constant for sc Pd v007 view
LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_004 Equilibrium lattice constants for hcp Pd view
LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005 Equilibrium lattice constants for hcp Pd v005 view
LinearThermalExpansionCoeff_fcc_Pd__TE_728704926608_002 Linear thermal expansion coefficient of fcc Pd at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Pd__TE_728704926608_001 Linear thermal expansion coefficient of fcc Pd at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Pd__TE_116936649983_003 Phonon dispersion relations for fcc Pd view
PhononDispersionCurve_fcc_Pd__TE_116936649983_004 Phonon dispersion relations for fcc Pd v004 view
StackingFaultFccCrystal_0bar_Pd__TE_032672243268_002 Stacking and twinning fault energies for fcc Pd v002 view
StackingFaultFccCrystal_Pd_0bar__TE_032672243268_001 Stacking and twinning fault energies for fcc Pd view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pd__TE_297899487595_003 Broken-bond fit of high-symmetry surface energies in fcc Pd view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pd__TE_297899487595_004 Broken-bond fit of high-symmetry surface energies in fcc Pd v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Pd__TE_634438191272_001 Monovacancy formation energy and relaxation volume for fcc Pd view
VacancyFormationMigration_fcc_Pd__TE_823106475257_001 Vacancy formation and migration energy for fcc Pd view
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pt__MO_388062184209_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Pt__TE_852024024775_002 Cohesive energy versus lattice constant curve for bcc Platinum view
CohesiveEnergyVsLatticeConstant_bcc_Pt__TE_852024024775_003 Cohesive energy versus lattice constant curve for bcc Pt v003 view
CohesiveEnergyVsLatticeConstant_bcc_Pt__TE_852024024775_004 Cohesive energy versus lattice constant curve for bcc Pt v004 view
CohesiveEnergyVsLatticeConstant_diamond_Pt__TE_607297691797_002 Cohesive energy versus lattice constant curve for diamond Platinum view
CohesiveEnergyVsLatticeConstant_diamond_Pt__TE_607297691797_003 Cohesive energy versus lattice constant curve for diamond Pt v003 view
CohesiveEnergyVsLatticeConstant_diamond_Pt__TE_607297691797_004 Cohesive energy versus lattice constant curve for diamond Pt v004 view
CohesiveEnergyVsLatticeConstant_fcc_Pt__TE_164136256057_002 Cohesive energy versus lattice constant curve for fcc Platinum view
CohesiveEnergyVsLatticeConstant_fcc_Pt__TE_164136256057_003 Cohesive energy versus lattice constant curve for fcc Pt v003 view
CohesiveEnergyVsLatticeConstant_fcc_Pt__TE_164136256057_004 Cohesive energy versus lattice constant curve for fcc Pt v004 view
CohesiveEnergyVsLatticeConstant_sc_Pt__TE_157772593014_002 Cohesive energy versus lattice constant curve for sc Platinum view
CohesiveEnergyVsLatticeConstant_sc_Pt__TE_157772593014_003 Cohesive energy versus lattice constant curve for sc Pt v003 view
CohesiveEnergyVsLatticeConstant_sc_Pt__TE_157772593014_004 Cohesive energy versus lattice constant curve for sc Pt v004 view
ElasticConstantsCubic_bcc_Pt__TE_044796406471_004 Elastic constants for bcc Pt at zero temperature view
ElasticConstantsCubic_bcc_Pt__TE_044796406471_005 Elastic constants for bcc Pt at zero temperature v005 view
ElasticConstantsCubic_bcc_Pt__TE_044796406471_006 Elastic constants for bcc Pt at zero temperature v006 view
ElasticConstantsCubic_fcc_Pt__TE_304169980530_004 Elastic constants for fcc Pt at zero temperature view
ElasticConstantsCubic_fcc_Pt__TE_304169980530_005 Elastic constants for fcc Pt at zero temperature v005 view
ElasticConstantsCubic_fcc_Pt__TE_304169980530_006 Elastic constants for fcc Pt at zero temperature v006 view
ElasticConstantsCubic_sc_Pt__TE_076340850633_004 Elastic constants for sc Pt at zero temperature view
ElasticConstantsCubic_sc_Pt__TE_076340850633_005 Elastic constants for sc Pt at zero temperature v005 view
ElasticConstantsCubic_sc_Pt__TE_076340850633_006 Elastic constants for sc Pt at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Pt__TE_328579240125_003 Elastic constants for hcp Pt at zero temperature view
ElasticConstantsHexagonal_hcp_Pt__TE_328579240125_004 Elastic constants for hcp Pt at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Pt__TE_294567349389_000 Equilibrium crystal structure and energy for Pt in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Pt__TE_294567349389_001 Equilibrium crystal structure and energy for Pt in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Pt__TE_294567349389_002 Equilibrium crystal structure and energy for Pt in AFLOW crystal prototype A_cF4_225_a v002 view
LatticeConstantCubicEnergy_bcc_Pt__TE_456905666653_005 Equilibrium zero-temperature lattice constant for bcc Pt view
LatticeConstantCubicEnergy_bcc_Pt__TE_456905666653_006 Equilibrium zero-temperature lattice constant for bcc Pt view
LatticeConstantCubicEnergy_bcc_Pt__TE_456905666653_007 Equilibrium zero-temperature lattice constant for bcc Pt v007 view
LatticeConstantCubicEnergy_diamond_Pt__TE_136530762051_005 Equilibrium zero-temperature lattice constant for diamond Pt view
LatticeConstantCubicEnergy_diamond_Pt__TE_136530762051_006 Equilibrium zero-temperature lattice constant for diamond Pt view
LatticeConstantCubicEnergy_diamond_Pt__TE_136530762051_007 Equilibrium zero-temperature lattice constant for diamond Pt v007 view
LatticeConstantCubicEnergy_fcc_Pt__TE_202249747456_005 Equilibrium zero-temperature lattice constant for fcc Pt view
LatticeConstantCubicEnergy_fcc_Pt__TE_202249747456_006 Equilibrium zero-temperature lattice constant for fcc Pt view
LatticeConstantCubicEnergy_fcc_Pt__TE_202249747456_007 Equilibrium zero-temperature lattice constant for fcc Pt v007 view
LatticeConstantCubicEnergy_sc_Pt__TE_671050090410_005 Equilibrium zero-temperature lattice constant for sc Pt view
LatticeConstantCubicEnergy_sc_Pt__TE_671050090410_006 Equilibrium zero-temperature lattice constant for sc Pt view
LatticeConstantCubicEnergy_sc_Pt__TE_671050090410_007 Equilibrium zero-temperature lattice constant for sc Pt v007 view
LatticeConstantHexagonalEnergy_hcp_Pt__TE_646115617497_004 Equilibrium lattice constants for hcp Pt view
LatticeConstantHexagonalEnergy_hcp_Pt__TE_646115617497_005 Equilibrium lattice constants for hcp Pt v005 view
LinearThermalExpansionCoeff_fcc_Pt__TE_325427650920_002 Linear thermal expansion coefficient of fcc Pt at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Pt__TE_325427650920_001 Linear thermal expansion coefficient of fcc Pt at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Pt__TE_751500878459_003 Phonon dispersion relations for fcc Pt view
PhononDispersionCurve_fcc_Pt__TE_751500878459_004 Phonon dispersion relations for fcc Pt v004 view
StackingFaultFccCrystal_0bar_Pt__TE_861999681815_002 Stacking and twinning fault energies for fcc Pt v002 view
StackingFaultFccCrystal_Pt_0bar__TE_861999681815_001 Stacking and twinning fault energies for fcc Pt view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pt__TE_658176966451_003 Broken-bond fit of high-symmetry surface energies in fcc Pt view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Pt__TE_658176966451_004 Broken-bond fit of high-symmetry surface energies in fcc Pt v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Pt__TE_437812956174_001 Monovacancy formation energy and relaxation volume for fcc Pt view
VacancyFormationMigration_fcc_Pt__TE_143190656999_001 Vacancy formation and migration energy for fcc Pt view
EAM_Dynamo_AdamsFoilesWolfer_1989_Au__MO_087738844640_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_002 Cohesive energy versus lattice constant curve for bcc Gold view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_003 Cohesive energy versus lattice constant curve for bcc Au v003 view
CohesiveEnergyVsLatticeConstant_bcc_Au__TE_048019432807_004 Cohesive energy versus lattice constant curve for bcc Au v004 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_002 Cohesive energy versus lattice constant curve for diamond Gold view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_003 Cohesive energy versus lattice constant curve for diamond Au v003 view
CohesiveEnergyVsLatticeConstant_diamond_Au__TE_464393613038_004 Cohesive energy versus lattice constant curve for diamond Au v004 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_002 Cohesive energy versus lattice constant curve for fcc Gold view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_003 Cohesive energy versus lattice constant curve for fcc Au v003 view
CohesiveEnergyVsLatticeConstant_fcc_Au__TE_639842329907_004 Cohesive energy versus lattice constant curve for fcc Au v004 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_002 Cohesive energy versus lattice constant curve for sc Gold view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_003 Cohesive energy versus lattice constant curve for sc Au v003 view
CohesiveEnergyVsLatticeConstant_sc_Au__TE_217023185784_004 Cohesive energy versus lattice constant curve for sc Au v004 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_004 Elastic constants for bcc Au at zero temperature view
ElasticConstantsCubic_bcc_Au__TE_331337049300_005 Elastic constants for bcc Au at zero temperature v005 view
ElasticConstantsCubic_bcc_Au__TE_331337049300_006 Elastic constants for bcc Au at zero temperature v006 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_004 Elastic constants for fcc Au at zero temperature view
ElasticConstantsCubic_fcc_Au__TE_955259038482_005 Elastic constants for fcc Au at zero temperature v005 view
ElasticConstantsCubic_fcc_Au__TE_955259038482_006 Elastic constants for fcc Au at zero temperature v006 view
ElasticConstantsCubic_sc_Au__TE_292034176243_004 Elastic constants for sc Au at zero temperature view
ElasticConstantsCubic_sc_Au__TE_292034176243_005 Elastic constants for sc Au at zero temperature v005 view
ElasticConstantsCubic_sc_Au__TE_292034176243_006 Elastic constants for sc Au at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_003 Elastic constants for hcp Au at zero temperature view
ElasticConstantsHexagonal_hcp_Au__TE_173297003682_004 Elastic constants for hcp Au at zero temperature v004 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_000 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Au__TE_187370821793_001 Equilibrium crystal structure and energy for Au in AFLOW crystal prototype A_cF4_225_a v001 view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_005 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_006 Equilibrium zero-temperature lattice constant for bcc Au view
LatticeConstantCubicEnergy_bcc_Au__TE_725597583582_007 Equilibrium zero-temperature lattice constant for bcc Au v007 view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_005 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_006 Equilibrium zero-temperature lattice constant for diamond Au view
LatticeConstantCubicEnergy_diamond_Au__TE_871491775328_007 Equilibrium zero-temperature lattice constant for diamond Au v007 view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_005 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_006 Equilibrium zero-temperature lattice constant for fcc Au view
LatticeConstantCubicEnergy_fcc_Au__TE_622115706816_007 Equilibrium zero-temperature lattice constant for fcc Au v007 view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_005 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_006 Equilibrium zero-temperature lattice constant for sc Au view
LatticeConstantCubicEnergy_sc_Au__TE_267331964638_007 Equilibrium zero-temperature lattice constant for sc Au v007 view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_004 Equilibrium lattice constants for hcp Au view
LatticeConstantHexagonalEnergy_hcp_Au__TE_582408679046_005 Equilibrium lattice constants for hcp Au v005 view
LinearThermalExpansionCoeffCubic_fcc_Au__TE_173429922932_001 Linear thermal expansion coefficient of fcc Au at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Au__TE_171727129373_003 Phonon dispersion relations for fcc Au view
PhononDispersionCurve_fcc_Au__TE_171727129373_004 Phonon dispersion relations for fcc Au v004 view
StackingFaultFccCrystal_0bar_Au__TE_843792000528_002 Stacking and twinning fault energies for fcc Au v002 view
StackingFaultFccCrystal_Au_0bar__TE_843792000528_001 Stacking and twinning fault energies for fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_003 Broken-bond fit of high-symmetry surface energies in fcc Au view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Au__TE_440844375214_004 Broken-bond fit of high-symmetry surface energies in fcc Au v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Au__TE_498189415365_001 Monovacancy formation energy and relaxation volume for fcc Au view
VacancyFormationMigration_fcc_Au__TE_591056455495_001 Vacancy formation and migration energy for fcc Au view
EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Be__TE_766201086913_002 Cohesive energy versus lattice constant curve for bcc Beryllium view
CohesiveEnergyVsLatticeConstant_bcc_Be__TE_766201086913_003 Cohesive energy versus lattice constant curve for bcc Be v003 view
CohesiveEnergyVsLatticeConstant_bcc_Be__TE_766201086913_004 Cohesive energy versus lattice constant curve for bcc Be v004 view
CohesiveEnergyVsLatticeConstant_diamond_Be__TE_655516394738_002 Cohesive energy versus lattice constant curve for diamond Beryllium view
CohesiveEnergyVsLatticeConstant_diamond_Be__TE_655516394738_003 Cohesive energy versus lattice constant curve for diamond Be v003 view
CohesiveEnergyVsLatticeConstant_diamond_Be__TE_655516394738_004 Cohesive energy versus lattice constant curve for diamond Be v004 view
CohesiveEnergyVsLatticeConstant_fcc_Be__TE_375258722428_002 Cohesive energy versus lattice constant curve for fcc Beryllium view
CohesiveEnergyVsLatticeConstant_fcc_Be__TE_375258722428_003 Cohesive energy versus lattice constant curve for fcc Be v003 view
CohesiveEnergyVsLatticeConstant_fcc_Be__TE_375258722428_004 Cohesive energy versus lattice constant curve for fcc Be v004 view
CohesiveEnergyVsLatticeConstant_sc_Be__TE_079610064854_002 Cohesive energy versus lattice constant curve for sc Beryllium view
CohesiveEnergyVsLatticeConstant_sc_Be__TE_079610064854_003 Cohesive energy versus lattice constant curve for sc Be v003 view
CohesiveEnergyVsLatticeConstant_sc_Be__TE_079610064854_004 Cohesive energy versus lattice constant curve for sc Be v004 view
ElasticConstantsCubic_bcc_Be__TE_363294479860_004 Elastic constants for bcc Be at zero temperature view
ElasticConstantsCubic_bcc_Be__TE_363294479860_005 Elastic constants for bcc Be at zero temperature v005 view
ElasticConstantsCubic_bcc_Be__TE_363294479860_006 Elastic constants for bcc Be at zero temperature v006 view
ElasticConstantsCubic_diamond_Be__TE_802667182683_001 Elastic constants for diamond Be at zero temperature v001 view
ElasticConstantsCubic_fcc_Be__TE_464499566623_004 Elastic constants for fcc Be at zero temperature view
ElasticConstantsCubic_fcc_Be__TE_464499566623_005 Elastic constants for fcc Be at zero temperature v005 view
ElasticConstantsCubic_fcc_Be__TE_464499566623_006 Elastic constants for fcc Be at zero temperature v006 view
ElasticConstantsCubic_sc_Be__TE_840938621057_004 Elastic constants for sc Be at zero temperature view
ElasticConstantsCubic_sc_Be__TE_840938621057_005 Elastic constants for sc Be at zero temperature v005 view
ElasticConstantsCubic_sc_Be__TE_840938621057_006 Elastic constants for sc Be at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Be__TE_928974544012_003 Elastic constants for hcp Be at zero temperature view
ElasticConstantsHexagonal_hcp_Be__TE_928974544012_004 Elastic constants for hcp Be at zero temperature v004 view
EquilibriumCrystalStructure_A_cI2_229_a_Be__TE_031780403567_000 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Be__TE_031780403567_001 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Be__TE_031780403567_002 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Be__TE_444701933506_000 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Be__TE_444701933506_001 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Be__TE_444701933506_002 Equilibrium crystal structure and energy for Be in AFLOW crystal prototype A_hP2_194_c v002 view
LatticeConstantCubicEnergy_bcc_Be__TE_089624007940_005 Equilibrium zero-temperature lattice constant for bcc Be view
LatticeConstantCubicEnergy_bcc_Be__TE_089624007940_006 Equilibrium zero-temperature lattice constant for bcc Be view
LatticeConstantCubicEnergy_bcc_Be__TE_089624007940_007 Equilibrium zero-temperature lattice constant for bcc Be v007 view
LatticeConstantCubicEnergy_diamond_Be__TE_051142216533_005 Equilibrium zero-temperature lattice constant for diamond Be view
LatticeConstantCubicEnergy_diamond_Be__TE_051142216533_006 Equilibrium zero-temperature lattice constant for diamond Be view
LatticeConstantCubicEnergy_diamond_Be__TE_051142216533_007 Equilibrium zero-temperature lattice constant for diamond Be v007 view
LatticeConstantCubicEnergy_fcc_Be__TE_104905757100_005 Equilibrium zero-temperature lattice constant for fcc Be view
LatticeConstantCubicEnergy_fcc_Be__TE_104905757100_006 Equilibrium zero-temperature lattice constant for fcc Be view
LatticeConstantCubicEnergy_fcc_Be__TE_104905757100_007 Equilibrium zero-temperature lattice constant for fcc Be v007 view
LatticeConstantCubicEnergy_sc_Be__TE_846213341201_005 Equilibrium zero-temperature lattice constant for sc Be view
LatticeConstantCubicEnergy_sc_Be__TE_846213341201_006 Equilibrium zero-temperature lattice constant for sc Be view
LatticeConstantCubicEnergy_sc_Be__TE_846213341201_007 Equilibrium zero-temperature lattice constant for sc Be v007 view
LatticeConstantHexagonalEnergy_hcp_Be__TE_547199326822_004 Equilibrium lattice constants for hcp Be view
LatticeConstantHexagonalEnergy_hcp_Be__TE_547199326822_005 Equilibrium lattice constants for hcp Be v005 view
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_002 Cohesive energy versus lattice constant curve for bcc Aluminum view
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_003 Cohesive energy versus lattice constant curve for bcc Al v003 view
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_004 Cohesive energy versus lattice constant curve for bcc Al v004 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_002 Cohesive energy versus lattice constant curve for diamond Aluminum view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_003 Cohesive energy versus lattice constant curve for diamond Al v003 view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_004 Cohesive energy versus lattice constant curve for diamond Al v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_002 Cohesive energy versus lattice constant curve for fcc Aluminum view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_003 Cohesive energy versus lattice constant curve for fcc Al v003 view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_004 Cohesive energy versus lattice constant curve for fcc Al v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_002 Cohesive energy versus lattice constant curve for sc Aluminum view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_003 Cohesive energy versus lattice constant curve for sc Al v003 view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_004 Cohesive energy versus lattice constant curve for sc Al v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Al__TE_143620255826_004 Elastic constants for bcc Al at zero temperature view
ElasticConstantsCubic_bcc_Al__TE_143620255826_005 Elastic constants for bcc Al at zero temperature v005 view
ElasticConstantsCubic_bcc_Al__TE_143620255826_006 Elastic constants for bcc Al at zero temperature v006 view
ElasticConstantsCubic_bcc_H__TE_632848943374_004 Elastic constants for bcc H at zero temperature view
ElasticConstantsCubic_bcc_H__TE_632848943374_005 Elastic constants for bcc H at zero temperature v005 view
ElasticConstantsCubic_bcc_H__TE_632848943374_006 Elastic constants for bcc H at zero temperature v006 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_005 Elastic constants for bcc Ni at zero temperature v005 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_diamond_Al__TE_677832100573_001 Elastic constants for diamond Al at zero temperature v001 view
ElasticConstantsCubic_diamond_H__TE_744263053723_000 Elastic constants for diamond H at zero temperature v000 view
ElasticConstantsCubic_diamond_H__TE_744263053723_001 Elastic constants for diamond H at zero temperature v001 view
ElasticConstantsCubic_fcc_Al__TE_944469580177_004 Elastic constants for fcc Al at zero temperature view
ElasticConstantsCubic_fcc_Al__TE_944469580177_005 Elastic constants for fcc Al at zero temperature v005 view
ElasticConstantsCubic_fcc_Al__TE_944469580177_006 Elastic constants for fcc Al at zero temperature v006 view
ElasticConstantsCubic_fcc_H__TE_627409417266_004 Elastic constants for fcc H at zero temperature view
ElasticConstantsCubic_fcc_H__TE_627409417266_005 Elastic constants for fcc H at zero temperature v005 view
ElasticConstantsCubic_fcc_H__TE_627409417266_006 Elastic constants for fcc H at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_004 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_005 Elastic constants for fcc Ni at zero temperature v005 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Al__TE_566227372929_004 Elastic constants for sc Al at zero temperature view
ElasticConstantsCubic_sc_Al__TE_566227372929_005 Elastic constants for sc Al at zero temperature v005 view
ElasticConstantsCubic_sc_Al__TE_566227372929_006 Elastic constants for sc Al at zero temperature v006 view
ElasticConstantsCubic_sc_H__TE_648951261715_004 Elastic constants for sc H at zero temperature view
ElasticConstantsCubic_sc_H__TE_648951261715_005 Elastic constants for sc H at zero temperature v005 view
ElasticConstantsCubic_sc_H__TE_648951261715_006 Elastic constants for sc H at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_004 Elastic constants for sc Ni at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_005 Elastic constants for sc Ni at zero temperature v005 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Al__TE_064090254718_003 Elastic constants for hcp Al at zero temperature view
ElasticConstantsHexagonal_hcp_Al__TE_064090254718_004 Elastic constants for hcp Al at zero temperature v004 view
ElasticConstantsHexagonal_hcp_H__TE_758877215376_003 Elastic constants for hcp H at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_003 Elastic constants for hcp Ni at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_004 Elastic constants for hcp Ni at zero temperature v004 view
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlNi__TE_316749760271_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d v000 view
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlNi__TE_316749760271_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d v001 view
EquilibriumCrystalStructure_A3B2_hP5_164_ad_d_AlNi__TE_316749760271_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B2_hP5_164_ad_d v002 view
EquilibriumCrystalStructure_A3B5_oC16_65_ah_bej_AlNi__TE_916164216045_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B5_oC16_65_ah_bej v000 view
EquilibriumCrystalStructure_A3B5_oC16_65_ah_bej_AlNi__TE_916164216045_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B5_oC16_65_ah_bej v001 view
EquilibriumCrystalStructure_A3B5_oC16_65_ah_bej_AlNi__TE_916164216045_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B5_oC16_65_ah_bej v002 view
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_AlNi__TE_412732671312_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B_oP16_62_cd_c v000 view
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_AlNi__TE_412732671312_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B_oP16_62_cd_c v001 view
EquilibriumCrystalStructure_A3B_oP16_62_cd_c_AlNi__TE_412732671312_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A3B_oP16_62_cd_c v002 view
EquilibriumCrystalStructure_A4B3_cI112_230_af_g_AlNi__TE_273280345947_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A4B3_cI112_230_af_g v000 view
EquilibriumCrystalStructure_A4B3_cI112_230_af_g_AlNi__TE_273280345947_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A4B3_cI112_230_af_g v001 view
EquilibriumCrystalStructure_A4B3_cI112_230_af_g_AlNi__TE_273280345947_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype A4B3_cI112_230_af_g v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_000 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_001 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Al__TE_761937896122_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_000 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_001 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Al__TE_258644009221_002 Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_H__TE_510859954199_000 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_H__TE_510859954199_001 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_H__TE_510859954199_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_H__TE_650445959228_000 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_H__TE_650445959228_001 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_H__TE_650445959228_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP4_194_f_H__TE_167800730104_000 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP4_194_f v000 view
EquilibriumCrystalStructure_A_hP4_194_f_H__TE_167800730104_001 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP4_194_f v001 view
EquilibriumCrystalStructure_A_hP4_194_f_H__TE_167800730104_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_hP4_194_f v002 view
EquilibriumCrystalStructure_A_tP1_123_a_H__TE_036865961240_000 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_tP1_123_a v000 view
EquilibriumCrystalStructure_A_tP1_123_a_H__TE_036865961240_001 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_tP1_123_a v001 view
EquilibriumCrystalStructure_A_tP1_123_a_H__TE_036865961240_002 Equilibrium crystal structure and energy for H in AFLOW crystal prototype A_tP1_123_a v002 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlNi__TE_559285586833_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cF16_225_a_bc v000 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlNi__TE_559285586833_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cF16_225_a_bc v001 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_AlNi__TE_559285586833_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002 view
EquilibriumCrystalStructure_AB3_cF64_227_c_f_AlH__TE_367093812813_000 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_cF64_227_c_f v000 view
EquilibriumCrystalStructure_AB3_cF64_227_c_f_AlH__TE_367093812813_001 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_cF64_227_c_f v001 view
EquilibriumCrystalStructure_AB3_cF64_227_c_f_AlH__TE_367093812813_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_cF64_227_c_f v002 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlNi__TE_513450192317_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cP4_221_a_c v000 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlNi__TE_513450192317_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cP4_221_a_c v001 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_AlNi__TE_513450192317_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB3_cP4_221_a_c v002 view
EquilibriumCrystalStructure_AB3_oC48_63_ad_cfgh_AlH__TE_669442227099_000 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oC48_63_ad_cfgh v000 view
EquilibriumCrystalStructure_AB3_oC48_63_ad_cfgh_AlH__TE_669442227099_001 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oC48_63_ad_cfgh v001 view
EquilibriumCrystalStructure_AB3_oC48_63_ad_cfgh_AlH__TE_669442227099_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oC48_63_ad_cfgh v002 view
EquilibriumCrystalStructure_AB3_oP24_58_ag_c2gh_AlH__TE_830246339695_000 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oP24_58_ag_c2gh v000 view
EquilibriumCrystalStructure_AB3_oP24_58_ag_c2gh_AlH__TE_830246339695_001 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oP24_58_ag_c2gh v001 view
EquilibriumCrystalStructure_AB3_oP24_58_ag_c2gh_AlH__TE_830246339695_002 Equilibrium crystal structure and energy for AlH in AFLOW crystal prototype AB3_oP24_58_ag_c2gh v002 view
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNi__TE_937035327194_000 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB_cF8_225_a_b v000 view
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNi__TE_937035327194_001 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB_cF8_225_a_b v001 view
EquilibriumCrystalStructure_AB_cF8_225_a_b_HNi__TE_937035327194_002 Equilibrium crystal structure and energy for HNi in AFLOW crystal prototype AB_cF8_225_a_b v002 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlNi__TE_551410690466_000 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB_cP2_221_a_b v000 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlNi__TE_551410690466_001 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB_cP2_221_a_b v001 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_AlNi__TE_551410690466_002 Equilibrium crystal structure and energy for AlNi in AFLOW crystal prototype AB_cP2_221_a_b v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_002 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Al__TE_918853243284_003 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al v003 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Al__TE_202986963854_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Al v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Al__TE_117904176283_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Al v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Al__TE_117904176283_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Al v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Al__TE_641102822364_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Al v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Al__TE_641102822364_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Al v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_005 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_006 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_007 Equilibrium zero-temperature lattice constant for bcc Al v007 view
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_005 Equilibrium zero-temperature lattice constant for bcc H view
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_006 Equilibrium zero-temperature lattice constant for bcc H view
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_007 Equilibrium zero-temperature lattice constant for bcc H v007 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_005 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_006 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_005 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_006 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_007 Equilibrium zero-temperature lattice constant for diamond Al v007 view
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_005 Equilibrium zero-temperature lattice constant for diamond H view
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_006 Equilibrium zero-temperature lattice constant for diamond H view
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_007 Equilibrium zero-temperature lattice constant for diamond H v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_005 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_006 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_005 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_006 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_007 Equilibrium zero-temperature lattice constant for fcc Al v007 view
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_005 Equilibrium zero-temperature lattice constant for fcc H view
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_006 Equilibrium zero-temperature lattice constant for fcc H view
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_007 Equilibrium zero-temperature lattice constant for fcc H v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_005 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_006 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_005 Equilibrium zero-temperature lattice constant for sc Al view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_006 Equilibrium zero-temperature lattice constant for sc Al view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_007 Equilibrium zero-temperature lattice constant for sc Al v007 view
LatticeConstantCubicEnergy_sc_H__TE_478794314457_005 Equilibrium zero-temperature lattice constant for sc H view
LatticeConstantCubicEnergy_sc_H__TE_478794314457_006 Equilibrium zero-temperature lattice constant for sc H view
LatticeConstantCubicEnergy_sc_H__TE_478794314457_007 Equilibrium zero-temperature lattice constant for sc H v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_005 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_006 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_004 Equilibrium lattice constants for hcp Al view
LatticeConstantHexagonalEnergy_hcp_Al__TE_248740869817_005 Equilibrium lattice constants for hcp Al v005 view
LatticeConstantHexagonalEnergy_hcp_H__TE_510142503120_004 Equilibrium lattice constants for hcp H view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_004 Equilibrium lattice constants for hcp Ni view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Al__TE_957040092249_002 Linear thermal expansion coefficient of fcc Al at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Al__TE_957040092249_001 Linear thermal expansion coefficient of fcc Al at 293.15 K under a pressure of 0 MPa v001 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Al__TE_363050395011_003 Phonon dispersion relations for fcc Al view
PhononDispersionCurve_fcc_Al__TE_363050395011_004 Phonon dispersion relations for fcc Al v004 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_003 Phonon dispersion relations for fcc Ni view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Al__TE_104913236993_002 Stacking and twinning fault energies for fcc Al v002 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
StackingFaultFccCrystal_Al_0bar__TE_104913236993_001 Stacking and twinning fault energies for fcc Al view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_001 Stacking and twinning fault energies for fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_003 Broken-bond fit of high-symmetry surface energies in fcc Al view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_004 Broken-bond fit of high-symmetry surface energies in fcc Al v004 view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_003 Broken-bond fit of high-symmetry surface energies in fcc Ni view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_001 Monovacancy formation energy and relaxation volume for fcc Al view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Al__TE_209799619356_001 Vacancy formation and migration energy for fcc Al view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_003
Test Test Title Test Result
ElasticConstantsHexagonal_hcp_Al__TE_064090254718_002 Elastic constants for hcp Al at zero temperature view
EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_004
Test Test Title Test Result
binary_alloy_elastic_constant_L12_AlNi3__TE_292837747871_000 Elastic constants of AlNi3 alloy in the L12 configuration view
CohesiveEnergyVsLatticeConstant_bcc_Al__TE_320860761056_001 Cohesive energy versus lattice constant curve for bcc Aluminum view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_001 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Al__TE_024193005713_001 Cohesive energy versus lattice constant curve for diamond Aluminum view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_001 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Al__TE_380539271142_001 Cohesive energy versus lattice constant curve for fcc Aluminum view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_001 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Al__TE_549565909158_001 Cohesive energy versus lattice constant curve for sc Aluminum view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_001 Cohesive energy versus lattice constant curve for sc Nickel view
ElasticConstantsCubic_bcc_Al__TE_143620255826_003 Elastic constants for bcc Al at zero temperature view
ElasticConstantsCubic_bcc_H__TE_632848943374_003 Elastic constants for bcc H at zero temperature view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_003 Elastic constants for bcc Ni at zero temperature view
ElasticConstantsCubic_fcc_H__TE_627409417266_003 Elastic constants for fcc H at zero temperature view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_003 Elastic constants for fcc Ni at zero temperature view
ElasticConstantsCubic_sc_Al__TE_566227372929_003 Elastic constants for sc Al at zero temperature view
ElasticConstantsCubic_sc_H__TE_648951261715_003 Elastic constants for sc H at zero temperature view
ElasticConstantsCubic_sc_Ni__TE_667647618175_003 Elastic constants for sc Ni at zero temperature view
ElasticConstantsHexagonal_hcp_H__TE_758877215376_002 Elastic constants for hcp H at zero temperature view
ElasticConstantsHexagonal_hcp_Ni__TE_097694939436_002 Elastic constants for hcp Ni at zero temperature view
Grain_Boundary_Symmetric_Tilt_Relaxed_Energy_vs_Angle_fcc_Al_100__TE_918853243284_000 The relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Al view
LatticeConstantCubicEnergy_bcc_Al__TE_201065028814_004 Equilibrium zero-temperature lattice constant for bcc Al view
LatticeConstantCubicEnergy_bcc_H__TE_166241045885_004 Equilibrium zero-temperature lattice constant for bcc H view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_004 Equilibrium zero-temperature lattice constant for bcc Ni view
LatticeConstantCubicEnergy_diamond_Al__TE_586085652256_004 Equilibrium zero-temperature lattice constant for diamond Al view
LatticeConstantCubicEnergy_diamond_H__TE_257661677950_004 Equilibrium zero-temperature lattice constant for diamond H view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_004 Equilibrium zero-temperature lattice constant for diamond Ni view
LatticeConstantCubicEnergy_fcc_Al__TE_156715955670_004 Equilibrium zero-temperature lattice constant for fcc Al view
LatticeConstantCubicEnergy_fcc_H__TE_384479542888_004 Equilibrium zero-temperature lattice constant for fcc H view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_004 Equilibrium zero-temperature lattice constant for fcc Ni view
LatticeConstantCubicEnergy_sc_Al__TE_272202056996_004 Equilibrium zero-temperature lattice constant for sc Al view
LatticeConstantCubicEnergy_sc_H__TE_478794314457_004 Equilibrium zero-temperature lattice constant for sc H view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_004 Equilibrium zero-temperature lattice constant for sc Ni view
LatticeConstantHexagonalEnergy_hcp_H__TE_510142503120_003 Equilibrium lattice constants for hcp H view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_003 Equilibrium lattice constants for hcp Ni view
LinearThermalExpansionCoeff_fcc_Al__TE_957040092249_000 Linear thermal expansion coefficient of fcc Al at room temperature under zero pressure view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_000 Linear thermal expansion coefficient of fcc Ni at room temperature under zero pressure view
PhononDispersionCurve_fcc_Al__TE_363050395011_002 Phonon dispersion relations for fcc Al view
PhononDispersionCurve_fcc_Ni__TE_948896757313_002 Phonon dispersion relations for fcc Ni view
StackingFaultFccCrystal_Al_0bar__TE_104913236993_000 Stacking and twinning fault energies for fcc Al view
StackingFaultFccCrystal_Ni_0bar__TE_566405684463_000 Stacking and twinning fault energies for fcc Ni view
SurfaceTest_fcc_Al__TE_761372278666_002 Broken-bond fit of high-symmetry surface energies in fcc Al view
SurfaceTest_fcc_Ni__TE_692192937218_002 Broken-bond fit of high-symmetry surface energies in fcc Ni view
VacancyFormationEnergyRelaxationVolume_fcc_Al__TE_472472909360_000 Monovacancy formation energy and relaxation volume for fcc Al view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_000 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Al__TE_209799619356_000 Vacancy formation and migration energy for fcc Al view
VacancyFormationMigration_fcc_Ni__TE_762881942024_000 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Co__TE_543234338606_003 Cohesive energy versus lattice constant curve for bcc Co v003 view
CohesiveEnergyVsLatticeConstant_bcc_Co__TE_543234338606_004 Cohesive energy versus lattice constant curve for bcc Co v004 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Co__TE_163601210424_003 Cohesive energy versus lattice constant curve for diamond Co v003 view
CohesiveEnergyVsLatticeConstant_diamond_Co__TE_163601210424_004 Cohesive energy versus lattice constant curve for diamond Co v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Co__TE_330933966103_003 Cohesive energy versus lattice constant curve for fcc Co v003 view
CohesiveEnergyVsLatticeConstant_fcc_Co__TE_330933966103_004 Cohesive energy versus lattice constant curve for fcc Co v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Co__TE_645248487394_003 Cohesive energy versus lattice constant curve for sc Co v003 view
CohesiveEnergyVsLatticeConstant_sc_Co__TE_645248487394_004 Cohesive energy versus lattice constant curve for sc Co v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Co__TE_124276697784_006 Elastic constants for bcc Co at zero temperature v006 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_diamond_Co__TE_556245374655_001 Elastic constants for diamond Co at zero temperature v001 view
ElasticConstantsCubic_fcc_Co__TE_927061832654_006 Elastic constants for fcc Co at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Co__TE_645150076707_006 Elastic constants for sc Co at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoNi__TE_979134007065_000 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype A3B_cP4_221_c_a v000 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoNi__TE_979134007065_001 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype A3B_cP4_221_c_a v001 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CoNi__TE_979134007065_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype A3B_cP4_221_c_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Co__TE_294888984716_000 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Co__TE_294888984716_001 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Co__TE_294888984716_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Co__TE_729718011959_000 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Co__TE_729718011959_001 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Co__TE_729718011959_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_tI2_139_a_Co__TE_262354230479_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tI2_139_a v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Co__TE_903636876851_000 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tP28_136_f2ij v000 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Co__TE_903636876851_001 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Co__TE_903636876851_002 Equilibrium crystal structure and energy for Co in AFLOW crystal prototype A_tP28_136_f2ij v002 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoNi__TE_043669841051_000 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype AB_cP2_221_a_b v000 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoNi__TE_043669841051_001 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype AB_cP2_221_a_b v001 view
EquilibriumCrystalStructure_AB_cP2_221_a_b_CoNi__TE_043669841051_002 Equilibrium crystal structure and energy for CoNi in AFLOW crystal prototype AB_cP2_221_a_b v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Co__TE_929276340991_007 Equilibrium zero-temperature lattice constant for bcc Co v007 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Co__TE_190298746217_007 Equilibrium zero-temperature lattice constant for diamond Co v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Co__TE_958754365395_007 Equilibrium zero-temperature lattice constant for fcc Co v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Co__TE_577147852974_007 Equilibrium zero-temperature lattice constant for sc Co v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Co__TE_935255463196_005 Equilibrium lattice constants for hcp Co v005 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_003 Cohesive energy versus lattice constant curve for bcc Cr v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_004 Cohesive energy versus lattice constant curve for bcc Cr v004 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_003 Cohesive energy versus lattice constant curve for bcc Fe v003 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_003 Cohesive energy versus lattice constant curve for diamond Cr v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_004 Cohesive energy versus lattice constant curve for diamond Cr v004 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_003 Cohesive energy versus lattice constant curve for diamond Fe v003 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_003 Cohesive energy versus lattice constant curve for fcc Cr v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_004 Cohesive energy versus lattice constant curve for fcc Cr v004 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_003 Cohesive energy versus lattice constant curve for fcc Fe v003 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_003 Cohesive energy versus lattice constant curve for sc Cr v003 view
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_004 Cohesive energy versus lattice constant curve for sc Cr v004 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_003 Cohesive energy versus lattice constant curve for sc Fe v003 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Cr__TE_381356414587_006 Elastic constants for bcc Cr at zero temperature v006 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_006 Elastic constants for bcc Ni at zero temperature v006 view
ElasticConstantsCubic_diamond_Fe__TE_086965548050_001 Elastic constants for diamond Fe at zero temperature v001 view
ElasticConstantsCubic_fcc_Cr__TE_839149748370_006 Elastic constants for fcc Cr at zero temperature v006 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_006 Elastic constants for fcc Fe at zero temperature v006 view
ElasticConstantsCubic_fcc_Ni__TE_077792808740_006 Elastic constants for fcc Ni at zero temperature v006 view
ElasticConstantsCubic_sc_Cr__TE_755073403781_006 Elastic constants for sc Cr at zero temperature v006 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_006 Elastic constants for sc Fe at zero temperature v006 view
ElasticConstantsCubic_sc_Ni__TE_667647618175_006 Elastic constants for sc Ni at zero temperature v006 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrFe__TE_232841123830_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A2B_cF24_227_c_b v000 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrFe__TE_232841123830_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A2B_cF24_227_c_b v001 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrFe__TE_232841123830_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A2B_cF24_227_c_b v002 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrNi__TE_030903509663_000 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A2B_cF24_227_c_b v000 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrNi__TE_030903509663_001 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A2B_cF24_227_c_b v001 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_CrNi__TE_030903509663_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A2B_cF24_227_c_b v002 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNi__TE_100043649315_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A2B_cF24_227_c_b v000 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNi__TE_100043649315_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A2B_cF24_227_c_b v001 view
EquilibriumCrystalStructure_A2B_cF24_227_c_b_FeNi__TE_100043649315_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A2B_cF24_227_c_b v002 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_CrNi__TE_106751846143_000 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cF16_225_ac_b v000 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_CrNi__TE_106751846143_001 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cF16_225_ac_b v001 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_CrNi__TE_106751846143_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNi__TE_329198268851_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cF16_225_ac_b v000 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNi__TE_329198268851_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cF16_225_ac_b v001 view
EquilibriumCrystalStructure_A3B_cF16_225_ac_b_FeNi__TE_329198268851_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cF16_225_ac_b v002 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrFe__TE_980464442683_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_cP4_221_c_a v000 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrFe__TE_980464442683_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_cP4_221_c_a v001 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrFe__TE_980464442683_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_cP4_221_c_a v002 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrNi__TE_894969408520_000 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cP4_221_c_a v000 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrNi__TE_894969408520_001 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cP4_221_c_a v001 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_CrNi__TE_894969408520_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype A3B_cP4_221_c_a v002 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNi__TE_248403352178_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cP4_221_c_a v000 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNi__TE_248403352178_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cP4_221_c_a v001 view
EquilibriumCrystalStructure_A3B_cP4_221_c_a_FeNi__TE_248403352178_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_cP4_221_c_a v002 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_CrFe__TE_814833749288_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_tI8_139_ad_b v000 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_CrFe__TE_814833749288_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_tI8_139_ad_b v001 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_CrFe__TE_814833749288_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype A3B_tI8_139_ad_b v002 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNi__TE_348962041508_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_tI8_139_ad_b v000 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNi__TE_348962041508_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_tI8_139_ad_b v001 view
EquilibriumCrystalStructure_A3B_tI8_139_ad_b_FeNi__TE_348962041508_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype A3B_tI8_139_ad_b v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Cr__TE_435490127528_000 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Cr__TE_435490127528_001 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Cr__TE_435490127528_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Ni__TE_409545778110_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Cr__TE_340252374109_000 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Cr__TE_340252374109_001 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Cr__TE_340252374109_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Ni__TE_796628326657_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cP8_223_ac_Cr__TE_321324251581_000 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cP8_223_ac v000 view
EquilibriumCrystalStructure_A_cP8_223_ac_Cr__TE_321324251581_001 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cP8_223_ac v001 view
EquilibriumCrystalStructure_A_cP8_223_ac_Cr__TE_321324251581_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_cP8_223_ac v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Cr__TE_078404832532_000 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Cr__TE_078404832532_001 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Cr__TE_078404832532_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_000 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_001 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Ni__TE_904156754475_002 Equilibrium crystal structure and energy for Ni in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Cr__TE_404596177635_000 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_tP28_136_f2ij v000 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Cr__TE_404596177635_001 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Cr__TE_404596177635_002 Equilibrium crystal structure and energy for Cr in AFLOW crystal prototype A_tP28_136_f2ij v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v000 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v002 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrFe__TE_870783480554_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB2_cF24_227_a_d v000 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrFe__TE_870783480554_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB2_cF24_227_a_d v001 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrFe__TE_870783480554_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB2_cF24_227_a_d v002 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrNi__TE_330192891046_000 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB2_cF24_227_a_d v000 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrNi__TE_330192891046_001 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB2_cF24_227_a_d v001 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_CrNi__TE_330192891046_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB2_cF24_227_a_d v002 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNi__TE_783111605617_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB2_cF24_227_a_d v001 view
EquilibriumCrystalStructure_AB2_cF24_227_a_d_FeNi__TE_783111605617_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB2_cF24_227_a_d v002 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrFe__TE_440179682965_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cF16_225_a_bc v000 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrFe__TE_440179682965_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cF16_225_a_bc v001 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrFe__TE_440179682965_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cF16_225_a_bc v002 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrNi__TE_603397726871_000 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB3_cF16_225_a_bc v000 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrNi__TE_603397726871_001 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB3_cF16_225_a_bc v001 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_CrNi__TE_603397726871_002 Equilibrium crystal structure and energy for CrNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNi__TE_094501326126_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cF16_225_a_bc v000 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNi__TE_094501326126_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cF16_225_a_bc v001 view
EquilibriumCrystalStructure_AB3_cF16_225_a_bc_FeNi__TE_094501326126_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cF16_225_a_bc v002 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CrFe__TE_683151127764_000 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cP4_221_a_c v000 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CrFe__TE_683151127764_001 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cP4_221_a_c v001 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_CrFe__TE_683151127764_002 Equilibrium crystal structure and energy for CrFe in AFLOW crystal prototype AB3_cP4_221_a_c v002 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNi__TE_015160752409_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cP4_221_a_c v000 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNi__TE_015160752409_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cP4_221_a_c v001 view
EquilibriumCrystalStructure_AB3_cP4_221_a_c_FeNi__TE_015160752409_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_cP4_221_a_c v002 view
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNi__TE_384717191162_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_tI8_139_a_bd v000 view
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNi__TE_384717191162_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_tI8_139_a_bd v001 view
EquilibriumCrystalStructure_AB3_tI8_139_a_bd_FeNi__TE_384717191162_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB3_tI8_139_a_bd v002 view
EquilibriumCrystalStructure_AB_tP2_123_a_d_FeNi__TE_136568412116_000 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB_tP2_123_a_d v000 view
EquilibriumCrystalStructure_AB_tP2_123_a_d_FeNi__TE_136568412116_001 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB_tP2_123_a_d v001 view
EquilibriumCrystalStructure_AB_tP2_123_a_d_FeNi__TE_136568412116_002 Equilibrium crystal structure and energy for FeNi in AFLOW crystal prototype AB_tP2_123_a_d v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Ni__TE_457754988992_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Ni__TE_980409230161_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Ni__TE_035582886963_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Ni v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Ni__TE_893686795562_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Ni v001 view
LatticeConstantCubicEnergy_bcc_Cr__TE_498936913986_007 Equilibrium zero-temperature lattice constant for bcc Cr v007 view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_007 Equilibrium zero-temperature lattice constant for bcc Fe v007 view
LatticeConstantCubicEnergy_bcc_Ni__TE_942132986685_007 Equilibrium zero-temperature lattice constant for bcc Ni v007 view
LatticeConstantCubicEnergy_diamond_Cr__TE_222357104822_007 Equilibrium zero-temperature lattice constant for diamond Cr v007 view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_007 Equilibrium zero-temperature lattice constant for diamond Fe v007 view
LatticeConstantCubicEnergy_diamond_Ni__TE_387234303809_007 Equilibrium zero-temperature lattice constant for diamond Ni v007 view
LatticeConstantCubicEnergy_fcc_Cr__TE_247939687975_007 Equilibrium zero-temperature lattice constant for fcc Cr v007 view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_007 Equilibrium zero-temperature lattice constant for fcc Fe v007 view
LatticeConstantCubicEnergy_fcc_Ni__TE_155729527943_007 Equilibrium zero-temperature lattice constant for fcc Ni v007 view
LatticeConstantCubicEnergy_sc_Cr__TE_827167589900_007 Equilibrium zero-temperature lattice constant for sc Cr v007 view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_007 Equilibrium zero-temperature lattice constant for sc Fe v007 view
LatticeConstantCubicEnergy_sc_Ni__TE_557502038638_007 Equilibrium zero-temperature lattice constant for sc Ni v007 view
LatticeConstantHexagonalEnergy_hcp_Cr__TE_369561784443_005 Equilibrium lattice constants for hcp Cr v005 view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_005 Equilibrium lattice constants for hcp Fe v005 view
LatticeConstantHexagonalEnergy_hcp_Ni__TE_708857439901_005 Equilibrium lattice constants for hcp Ni v005 view
LinearThermalExpansionCoeff_bcc_Cr__TE_435511432078_002 Linear thermal expansion coefficient of bcc Cr at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_002 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeff_fcc_Ni__TE_127978642829_002 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_Cr__TE_435511432078_001 Linear thermal expansion coefficient of bcc Cr at 293.15 K under a pressure of 0 MPa v001 view
LinearThermalExpansionCoeffCubic_bcc_Fe__TE_506786620750_001 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v001 view
LinearThermalExpansionCoeffCubic_fcc_Ni__TE_127978642829_001 Linear thermal expansion coefficient of fcc Ni at 293.15 K under a pressure of 0 MPa v001 view
PhononDispersionCurve_fcc_Ni__TE_948896757313_004 Phonon dispersion relations for fcc Ni v004 view
StackingFaultFccCrystal_0bar_Ni__TE_566405684463_002 Stacking and twinning fault energies for fcc Ni v002 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Cr__TE_431593503111_004 Broken-bond fit of high-symmetry surface energies in bcc Cr v004 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004 Broken-bond fit of high-symmetry surface energies in bcc Fe v004 view
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Ni__TE_692192937218_004 Broken-bond fit of high-symmetry surface energies in fcc Ni v004 view
VacancyFormationEnergyRelaxationVolume_bcc_Cr__TE_525187364582_001 Monovacancy formation energy and relaxation volume for bcc Cr view
VacancyFormationEnergyRelaxationVolume_fcc_Ni__TE_904565390529_001 Monovacancy formation energy and relaxation volume for fcc Ni view
VacancyFormationMigration_bcc_Cr__TE_308041565541_001 Vacancy formation and migration energy for bcc Cr view
VacancyFormationMigration_bcc_Fe__TE_424131500075_001 Vacancy formation and migration energy for bcc Fe view
VacancyFormationMigration_fcc_Ni__TE_762881942024_001 Vacancy formation and migration energy for fcc Ni view
EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Re__TE_421861093434_002 Cohesive energy versus lattice constant curve for bcc Rhenium view
CohesiveEnergyVsLatticeConstant_bcc_Re__TE_421861093434_003 Cohesive energy versus lattice constant curve for bcc Re v003 view
CohesiveEnergyVsLatticeConstant_bcc_Re__TE_421861093434_004 Cohesive energy versus lattice constant curve for bcc Re v004 view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_002 Cohesive energy versus lattice constant curve for bcc Tungsten view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_003 Cohesive energy versus lattice constant curve for bcc W v003 view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_004 Cohesive energy versus lattice constant curve for bcc W v004 view
CohesiveEnergyVsLatticeConstant_diamond_Re__TE_813456323681_002 Cohesive energy versus lattice constant curve for diamond Rhenium view
CohesiveEnergyVsLatticeConstant_diamond_Re__TE_813456323681_003 Cohesive energy versus lattice constant curve for diamond Re v003 view
CohesiveEnergyVsLatticeConstant_diamond_Re__TE_813456323681_004 Cohesive energy versus lattice constant curve for diamond Re v004 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_002 Cohesive energy versus lattice constant curve for diamond Tungsten view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_003 Cohesive energy versus lattice constant curve for diamond W v003 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_004 Cohesive energy versus lattice constant curve for diamond W v004 view
CohesiveEnergyVsLatticeConstant_fcc_Re__TE_234843189597_002 Cohesive energy versus lattice constant curve for fcc Rhenium view
CohesiveEnergyVsLatticeConstant_fcc_Re__TE_234843189597_003 Cohesive energy versus lattice constant curve for fcc Re v003 view
CohesiveEnergyVsLatticeConstant_fcc_Re__TE_234843189597_004 Cohesive energy versus lattice constant curve for fcc Re v004 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_002 Cohesive energy versus lattice constant curve for fcc Tungsten view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_003 Cohesive energy versus lattice constant curve for fcc W v003 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_004 Cohesive energy versus lattice constant curve for fcc W v004 view
CohesiveEnergyVsLatticeConstant_sc_Re__TE_723476788315_002 Cohesive energy versus lattice constant curve for sc Rhenium view
CohesiveEnergyVsLatticeConstant_sc_Re__TE_723476788315_003 Cohesive energy versus lattice constant curve for sc Re v003 view
CohesiveEnergyVsLatticeConstant_sc_Re__TE_723476788315_004 Cohesive energy versus lattice constant curve for sc Re v004 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_002 Cohesive energy versus lattice constant curve for sc Tungsten view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_003 Cohesive energy versus lattice constant curve for sc W v003 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_004 Cohesive energy versus lattice constant curve for sc W v004 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_110__TE_050085917986_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 0] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_111__TE_484207052653_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_112__TE_867105919092_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 2] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_113__TE_774980314164_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_114__TE_854455095649_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 4] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_115__TE_958166117724_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_116__TE_335490604794_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 6] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_117__TE_530110804388_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 7] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_223__TE_224019539634_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_225__TE_086166988434_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m1__TE_805197882949_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m3__TE_481639318205_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -3] v000 view
ElasticConstantsCubic_bcc_Re__TE_854997791323_004 Elastic constants for bcc Re at zero temperature view
ElasticConstantsCubic_bcc_Re__TE_854997791323_005 Elastic constants for bcc Re at zero temperature v005 view
ElasticConstantsCubic_bcc_Re__TE_854997791323_006 Elastic constants for bcc Re at zero temperature v006 view
ElasticConstantsCubic_bcc_W__TE_866278965431_004 Elastic constants for bcc W at zero temperature view
ElasticConstantsCubic_bcc_W__TE_866278965431_005 Elastic constants for bcc W at zero temperature v005 view
ElasticConstantsCubic_bcc_W__TE_866278965431_006 Elastic constants for bcc W at zero temperature v006 view
ElasticConstantsCubic_diamond_W__TE_395068339131_000 Elastic constants for diamond W at zero temperature v000 view
ElasticConstantsCubic_diamond_W__TE_395068339131_001 Elastic constants for diamond W at zero temperature v001 view
ElasticConstantsCubic_fcc_Re__TE_664333543401_004 Elastic constants for fcc Re at zero temperature view
ElasticConstantsCubic_fcc_Re__TE_664333543401_005 Elastic constants for fcc Re at zero temperature v005 view
ElasticConstantsCubic_fcc_Re__TE_664333543401_006 Elastic constants for fcc Re at zero temperature v006 view
ElasticConstantsCubic_fcc_W__TE_107628130267_004 Elastic constants for fcc W at zero temperature view
ElasticConstantsCubic_fcc_W__TE_107628130267_005 Elastic constants for fcc W at zero temperature v005 view
ElasticConstantsCubic_fcc_W__TE_107628130267_006 Elastic constants for fcc W at zero temperature v006 view
ElasticConstantsCubic_sc_Re__TE_579004156439_004 Elastic constants for sc Re at zero temperature view
ElasticConstantsCubic_sc_Re__TE_579004156439_005 Elastic constants for sc Re at zero temperature v005 view
ElasticConstantsCubic_sc_Re__TE_579004156439_006 Elastic constants for sc Re at zero temperature v006 view
ElasticConstantsCubic_sc_W__TE_403249981369_004 Elastic constants for sc W at zero temperature view
ElasticConstantsCubic_sc_W__TE_403249981369_005 Elastic constants for sc W at zero temperature v005 view
ElasticConstantsCubic_sc_W__TE_403249981369_006 Elastic constants for sc W at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Re__TE_612355386124_003 Elastic constants for hcp Re at zero temperature view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_003 Elastic constants for hcp W at zero temperature view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_ReW__TE_255199633308_000 Equilibrium crystal structure and energy for ReW in AFLOW crystal prototype A2B_hP12_194_ah_f v000 view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_ReW__TE_255199633308_001 Equilibrium crystal structure and energy for ReW in AFLOW crystal prototype A2B_hP12_194_ah_f v001 view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_ReW__TE_255199633308_002 Equilibrium crystal structure and energy for ReW in AFLOW crystal prototype A2B_hP12_194_ah_f v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Re__TE_094108152571_000 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Re__TE_094108152571_001 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Re__TE_094108152571_002 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v000 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v001 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Re__TE_054947863395_000 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Re__TE_054947863395_001 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Re__TE_054947863395_002 Equilibrium crystal structure and energy for Re in AFLOW crystal prototype A_hP2_194_c v002 view
LatticeConstantCubicEnergy_bcc_Re__TE_355871041504_005 Equilibrium zero-temperature lattice constant for bcc Re view
LatticeConstantCubicEnergy_bcc_Re__TE_355871041504_006 Equilibrium zero-temperature lattice constant for bcc Re view
LatticeConstantCubicEnergy_bcc_Re__TE_355871041504_007 Equilibrium zero-temperature lattice constant for bcc Re v007 view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_005 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_006 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_007 Equilibrium zero-temperature lattice constant for bcc W v007 view
LatticeConstantCubicEnergy_diamond_Re__TE_617156996345_005 Equilibrium zero-temperature lattice constant for diamond Re view
LatticeConstantCubicEnergy_diamond_Re__TE_617156996345_006 Equilibrium zero-temperature lattice constant for diamond Re view
LatticeConstantCubicEnergy_diamond_Re__TE_617156996345_007 Equilibrium zero-temperature lattice constant for diamond Re v007 view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_005 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_006 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_007 Equilibrium zero-temperature lattice constant for diamond W v007 view
LatticeConstantCubicEnergy_fcc_Re__TE_142526601171_005 Equilibrium zero-temperature lattice constant for fcc Re view
LatticeConstantCubicEnergy_fcc_Re__TE_142526601171_006 Equilibrium zero-temperature lattice constant for fcc Re view
LatticeConstantCubicEnergy_fcc_Re__TE_142526601171_007 Equilibrium zero-temperature lattice constant for fcc Re v007 view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_005 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_006 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_007 Equilibrium zero-temperature lattice constant for fcc W v007 view
LatticeConstantCubicEnergy_sc_Re__TE_871507675782_005 Equilibrium zero-temperature lattice constant for sc Re view
LatticeConstantCubicEnergy_sc_Re__TE_871507675782_006 Equilibrium zero-temperature lattice constant for sc Re view
LatticeConstantCubicEnergy_sc_Re__TE_871507675782_007 Equilibrium zero-temperature lattice constant for sc Re v007 view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_005 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_006 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_007 Equilibrium zero-temperature lattice constant for sc W v007 view
LatticeConstantHexagonalEnergy_hcp_Re__TE_289130076872_004 Equilibrium lattice constants for hcp Re view
LatticeConstantHexagonalEnergy_hcp_Re__TE_289130076872_005 Equilibrium lattice constants for hcp Re v005 view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_004 Equilibrium lattice constants for hcp W view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_005 Equilibrium lattice constants for hcp W v005 view
LinearThermalExpansionCoeff_bcc_W__TE_489123578653_002 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_W__TE_489123578653_001 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v001 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_003 Broken-bond fit of high-symmetry surface energies in bcc W view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_004 Broken-bond fit of high-symmetry surface energies in bcc W v004 view
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_001 Monovacancy formation energy and relaxation volume for bcc W view
VacancyFormationEnergyRelaxationVolume_hcp_Re__TE_977718224207_001 Monovacancy formation energy and relaxation volume for hcp Re view
VacancyFormationMigration_bcc_W__TE_485565507879_001 Vacancy formation and migration energy for bcc W view
VacancyFormationMigration_hcp_Re__TE_197485947906_001 Vacancy formation and migration energy for hcp Re view
EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_002 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_003 Cohesive energy versus lattice constant curve for bcc Fe v003 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004 view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_002 Cohesive energy versus lattice constant curve for bcc Tungsten view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_003 Cohesive energy versus lattice constant curve for bcc W v003 view
CohesiveEnergyVsLatticeConstant_bcc_W__TE_726637192481_004 Cohesive energy versus lattice constant curve for bcc W v004 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_002 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_003 Cohesive energy versus lattice constant curve for diamond Fe v003 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_002 Cohesive energy versus lattice constant curve for diamond Tungsten view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_003 Cohesive energy versus lattice constant curve for diamond W v003 view
CohesiveEnergyVsLatticeConstant_diamond_W__TE_197093630507_004 Cohesive energy versus lattice constant curve for diamond W v004 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_002 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_003 Cohesive energy versus lattice constant curve for fcc Fe v003 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_002 Cohesive energy versus lattice constant curve for fcc Tungsten view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_003 Cohesive energy versus lattice constant curve for fcc W v003 view
CohesiveEnergyVsLatticeConstant_fcc_W__TE_413870048308_004 Cohesive energy versus lattice constant curve for fcc W v004 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_002 Cohesive energy versus lattice constant curve for sc Iron view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_003 Cohesive energy versus lattice constant curve for sc Fe v003 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_002 Cohesive energy versus lattice constant curve for sc Tungsten view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_003 Cohesive energy versus lattice constant curve for sc W v003 view
CohesiveEnergyVsLatticeConstant_sc_W__TE_734478667511_004 Cohesive energy versus lattice constant curve for sc W v004 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_110__TE_050085917986_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 0] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_111__TE_484207052653_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_112__TE_867105919092_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 2] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_113__TE_774980314164_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_114__TE_854455095649_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 4] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_115__TE_958166117724_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_116__TE_335490604794_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 6] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_117__TE_530110804388_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, 7] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_11m1__TE_630212150898_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, -1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_11m2__TE_298228674289_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [1, 1, -2] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_223__TE_224019539634_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 3] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_225__TE_086166988434_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, 5] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m1__TE_805197882949_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -1] v000 view
DislocationCoreEnergyCubic_bcc_W_0p50p50p5_22m3__TE_481639318205_000 Dislocation core energy for bcc W computed at zero temperature for a set of dislocation core cutoff radii with burgers vector [0.5, 0.5, 0.5] along line direction [2, 2, -3] v000 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_004 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_005 Elastic constants for bcc Fe at zero temperature v005 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_006 Elastic constants for bcc Fe at zero temperature v006 view
ElasticConstantsCubic_bcc_W__TE_866278965431_004 Elastic constants for bcc W at zero temperature view
ElasticConstantsCubic_bcc_W__TE_866278965431_005 Elastic constants for bcc W at zero temperature v005 view
ElasticConstantsCubic_bcc_W__TE_866278965431_006 Elastic constants for bcc W at zero temperature v006 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_004 Elastic constants for fcc Fe at zero temperature view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_005 Elastic constants for fcc Fe at zero temperature v005 view
ElasticConstantsCubic_fcc_Fe__TE_943136713920_006 Elastic constants for fcc Fe at zero temperature v006 view
ElasticConstantsCubic_fcc_W__TE_107628130267_004 Elastic constants for fcc W at zero temperature view
ElasticConstantsCubic_fcc_W__TE_107628130267_005 Elastic constants for fcc W at zero temperature v005 view
ElasticConstantsCubic_fcc_W__TE_107628130267_006 Elastic constants for fcc W at zero temperature v006 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_004 Elastic constants for sc Fe at zero temperature view
ElasticConstantsCubic_sc_Fe__TE_828391579283_005 Elastic constants for sc Fe at zero temperature v005 view
ElasticConstantsCubic_sc_Fe__TE_828391579283_006 Elastic constants for sc Fe at zero temperature v006 view
ElasticConstantsCubic_sc_W__TE_403249981369_004 Elastic constants for sc W at zero temperature view
ElasticConstantsCubic_sc_W__TE_403249981369_005 Elastic constants for sc W at zero temperature v005 view
ElasticConstantsCubic_sc_W__TE_403249981369_006 Elastic constants for sc W at zero temperature v006 view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_003 Elastic constants for hcp Fe at zero temperature view
ElasticConstantsHexagonal_hcp_Fe__TE_092069407629_004 Elastic constants for hcp Fe at zero temperature v004 view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_003 Elastic constants for hcp W at zero temperature view
ElasticConstantsHexagonal_hcp_W__TE_270877935600_004 Elastic constants for hcp W at zero temperature v004 view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeW__TE_427615430896_000 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A2B_hP12_194_ah_f v000 view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeW__TE_427615430896_001 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A2B_hP12_194_ah_f v001 view
EquilibriumCrystalStructure_A2B_hP12_194_ah_f_FeW__TE_427615430896_002 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A2B_hP12_194_ah_f v002 view
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeW__TE_023967296008_000 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A7B6_hR13_166_ah_3c v000 view
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeW__TE_023967296008_001 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A7B6_hR13_166_ah_3c v001 view
EquilibriumCrystalStructure_A7B6_hR13_166_ah_3c_FeW__TE_023967296008_002 Equilibrium crystal structure and energy for FeW in AFLOW crystal prototype A7B6_hR13_166_ah_3c v002 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_Fe__TE_695607110625_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v000 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v001 view
EquilibriumCrystalStructure_A_cF4_225_a_W__TE_288044178281_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cF4_225_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_Fe__TE_676715610239_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v000 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v001 view
EquilibriumCrystalStructure_A_cI2_229_a_W__TE_427855959284_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cI2_229_a v002 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_000 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v000 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_001 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v001 view
EquilibriumCrystalStructure_A_cP8_223_ac_W__TE_850904320798_002 Equilibrium crystal structure and energy for W in AFLOW crystal prototype A_cP8_223_ac v002 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_000 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v000 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v001 view
EquilibriumCrystalStructure_A_hP2_194_c_Fe__TE_179376621761_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_hP2_194_c v002 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_001 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v001 view
EquilibriumCrystalStructure_A_tP28_136_f2ij_Fe__TE_044607792053_002 Equilibrium crystal structure and energy for Fe in AFLOW crystal prototype A_tP28_136_f2ij v002 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc100_Fe__TE_175540441720_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc110_Fe__TE_558145380113_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc111_Fe__TE_752424681735_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_bcc112_Fe__TE_187984704771_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in bcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_000 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc100_Fe__TE_814353485766_001 Relaxed energy as a function of tilt angle for a 100 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_000 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc110_Fe__TE_729107030375_001 Relaxed energy as a function of tilt angle for a 110 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_000 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc111_Fe__TE_989116099275_001 Relaxed energy as a function of tilt angle for a 111 symmetric tilt grain boundary in fcc Fe v001 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_000 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v000 view
GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle_fcc112_Fe__TE_317621478872_001 Relaxed energy as a function of tilt angle for a 112 symmetric tilt grain boundary in fcc Fe v001 view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_005 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_006 Equilibrium zero-temperature lattice constant for bcc Fe view
LatticeConstantCubicEnergy_bcc_Fe__TE_727622321684_007 Equilibrium zero-temperature lattice constant for bcc Fe v007 view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_005 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_006 Equilibrium zero-temperature lattice constant for bcc W view
LatticeConstantCubicEnergy_bcc_W__TE_155104699590_007 Equilibrium zero-temperature lattice constant for bcc W v007 view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_005 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_006 Equilibrium zero-temperature lattice constant for diamond Fe view
LatticeConstantCubicEnergy_diamond_Fe__TE_099190649546_007 Equilibrium zero-temperature lattice constant for diamond Fe v007 view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_005 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_006 Equilibrium zero-temperature lattice constant for diamond W view
LatticeConstantCubicEnergy_diamond_W__TE_167956834767_007 Equilibrium zero-temperature lattice constant for diamond W v007 view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_005 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_006 Equilibrium zero-temperature lattice constant for fcc Fe view
LatticeConstantCubicEnergy_fcc_Fe__TE_342002765394_007 Equilibrium zero-temperature lattice constant for fcc Fe v007 view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_005 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_006 Equilibrium zero-temperature lattice constant for fcc W view
LatticeConstantCubicEnergy_fcc_W__TE_461994964744_007 Equilibrium zero-temperature lattice constant for fcc W v007 view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_005 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_006 Equilibrium zero-temperature lattice constant for sc Fe view
LatticeConstantCubicEnergy_sc_Fe__TE_839734634070_007 Equilibrium zero-temperature lattice constant for sc Fe v007 view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_005 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_006 Equilibrium zero-temperature lattice constant for sc W view
LatticeConstantCubicEnergy_sc_W__TE_482767540184_007 Equilibrium zero-temperature lattice constant for sc W v007 view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_004 Equilibrium lattice constants for hcp Fe view
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_005 Equilibrium lattice constants for hcp Fe v005 view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_004 Equilibrium lattice constants for hcp W view
LatticeConstantHexagonalEnergy_hcp_W__TE_960710713318_005 Equilibrium lattice constants for hcp W v005 view
LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_002 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeff_bcc_W__TE_489123578653_002 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v002 view
LinearThermalExpansionCoeffCubic_bcc_Fe__TE_506786620750_001 Linear thermal expansion coefficient of bcc Fe at 293.15 K under a pressure of 0 MPa v001 view
LinearThermalExpansionCoeffCubic_bcc_W__TE_489123578653_001 Linear thermal expansion coefficient of bcc W at 293.15 K under a pressure of 0 MPa v001 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_003 Broken-bond fit of high-symmetry surface energies in bcc Fe view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_Fe__TE_493894422725_004 Broken-bond fit of high-symmetry surface energies in bcc Fe v004 view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_003 Broken-bond fit of high-symmetry surface energies in bcc W view
SurfaceEnergyCubicCrystalBrokenBondFit_bcc_W__TE_378149060769_004 Broken-bond fit of high-symmetry surface energies in bcc W v004 view
VacancyFormationEnergyRelaxationVolume_bcc_Fe__TE_453995604594_001 Monovacancy formation energy and relaxation volume for bcc Fe view
VacancyFormationEnergyRelaxationVolume_bcc_W__TE_197190379294_001 Monovacancy formation energy and relaxation volume for bcc W view
VacancyFormationMigration_bcc_Fe__TE_424131500075_001 Vacancy formation and migration energy for bcc Fe view
VacancyFormationMigration_bcc_W__TE_485565507879_001 Vacancy formation and migration energy for bcc W view
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
Test Test Title Test Result
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_002 Cohesive energy versus lattice constant curve for bcc Chromium view
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_003 Cohesive energy versus lattice constant curve for bcc Cr v003 view
CohesiveEnergyVsLatticeConstant_bcc_Cr__TE_443786469455_004 Cohesive energy versus lattice constant curve for bcc Cr v004 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_002 Cohesive energy versus lattice constant curve for bcc Iron view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_003 Cohesive energy versus lattice constant curve for bcc Fe v003 view
CohesiveEnergyVsLatticeConstant_bcc_Fe__TE_509164219708_004 Cohesive energy versus lattice constant curve for bcc Fe v004 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_002 Cohesive energy versus lattice constant curve for bcc Nickel view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_003 Cohesive energy versus lattice constant curve for bcc Ni v003 view
CohesiveEnergyVsLatticeConstant_bcc_Ni__TE_445944378547_004 Cohesive energy versus lattice constant curve for bcc Ni v004 view
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_002 Cohesive energy versus lattice constant curve for diamond Chromium view
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_003 Cohesive energy versus lattice constant curve for diamond Cr v003 view
CohesiveEnergyVsLatticeConstant_diamond_Cr__TE_898050936759_004 Cohesive energy versus lattice constant curve for diamond Cr v004 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_002 Cohesive energy versus lattice constant curve for diamond Iron view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_003 Cohesive energy versus lattice constant curve for diamond Fe v003 view
CohesiveEnergyVsLatticeConstant_diamond_Fe__TE_747158614799_004 Cohesive energy versus lattice constant curve for diamond Fe v004 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_002 Cohesive energy versus lattice constant curve for diamond Nickel view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_003 Cohesive energy versus lattice constant curve for diamond Ni v003 view
CohesiveEnergyVsLatticeConstant_diamond_Ni__TE_406251948779_004 Cohesive energy versus lattice constant curve for diamond Ni v004 view
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_002 Cohesive energy versus lattice constant curve for fcc Chromium view
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_003 Cohesive energy versus lattice constant curve for fcc Cr v003 view
CohesiveEnergyVsLatticeConstant_fcc_Cr__TE_759706645513_004 Cohesive energy versus lattice constant curve for fcc Cr v004 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_002 Cohesive energy versus lattice constant curve for fcc Iron view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_003 Cohesive energy versus lattice constant curve for fcc Fe v003 view
CohesiveEnergyVsLatticeConstant_fcc_Fe__TE_431563044903_004 Cohesive energy versus lattice constant curve for fcc Fe v004 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_002 Cohesive energy versus lattice constant curve for fcc Nickel view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_003 Cohesive energy versus lattice constant curve for fcc Ni v003 view
CohesiveEnergyVsLatticeConstant_fcc_Ni__TE_887529368698_004 Cohesive energy versus lattice constant curve for fcc Ni v004 view
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_002 Cohesive energy versus lattice constant curve for sc Chromium view
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_003 Cohesive energy versus lattice constant curve for sc Cr v003 view
CohesiveEnergyVsLatticeConstant_sc_Cr__TE_629231607166_004 Cohesive energy versus lattice constant curve for sc Cr v004 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_002 Cohesive energy versus lattice constant curve for sc Iron view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_003 Cohesive energy versus lattice constant curve for sc Fe v003 view
CohesiveEnergyVsLatticeConstant_sc_Fe__TE_418244980127_004 Cohesive energy versus lattice constant curve for sc Fe v004 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_002 Cohesive energy versus lattice constant curve for sc Nickel view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_003 Cohesive energy versus lattice constant curve for sc Ni v003 view
CohesiveEnergyVsLatticeConstant_sc_Ni__TE_883842739285_004 Cohesive energy versus lattice constant curve for sc Ni v004 view
ElasticConstantsCubic_bcc_Cr__TE_381356414587_004 Elastic constants for bcc Cr at zero temperature view
ElasticConstantsCubic_bcc_Cr__TE_381356414587_005 Elastic constants for bcc Cr at zero temperature v005 view
ElasticConstantsCubic_bcc_Cr__TE_381356414587_006 Elastic constants for bcc Cr at zero temperature v006 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_004 Elastic constants for bcc Fe at zero temperature view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_005 Elastic constants for bcc Fe at zero temperature v005 view
ElasticConstantsCubic_bcc_Fe__TE_740506315238_006 Elastic constants for bcc Fe at zero temperature v006 view
ElasticConstantsCubic_bcc_Ni__TE_899101060802_004 Elastic constants for bcc Ni at zero temperature view
ElasticCo