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calculation had an uncertainty or deviation from material symmetry greater than 1%.\nSee pipeline.stdout for calculation details." "prototype-label" { "source-value" "A2B3_oF40_43_b_ab" } "stoichiometric-species" { "source-value" [ "Au" "O" ] } "a" { "source-value" 9.204 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.204e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "x2" "y2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.77043677 0.40707301 0.56310819 0.44857671 0.16295659 0.50737256 0.63231771 0.8246885 0.98962335 ] } "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_250917537998_002-and-MO_959249795837_003-1711124274-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 3971.252852022488 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 3971252852022.488 } } ]