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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" "A2B_hP36_162_2ijk_l" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.1389 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.21389e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.37067609 0.20508369 0.41382301 0.25703126 0.61873586 0.33611276 0.52984088 0.85208532 0.23640323 ] } "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_829448869064_002-and-MO_501246546792_000-1711749648-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 77.90204411470985 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 77902044114.70985 } } ]