[ { "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/elastic-constants-isothermal-npt" "instance-id" 1 "disclaimer" "Elastic constants calculation had an uncertainty or deviation from material symmetry greater than 1%.\nSee pipeline.stdout for calculation details." 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"prototype-label" { "source-value" "A2B_hP36_177_jk2l_n" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 13.6759 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.36759e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.38245381 0.63808475 0.61023813 0.57793753 0.78997281 0.12010227 0.66655351 0.072378466 ] } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "coordinates-file" { "source-value" "instance-2.poscar" } "crystal-genome-source-structure-id" { "source-value" [ "TE_726848871877_002-and-SM_422553794879_000-1711749767-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 8.555293212512602 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 8555293212.512602 } } ]