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for calculation details." "prototype-label" { "source-value" "A2B_hP36_163_ghi_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 8.2695 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.269500000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.90342826 0.19852117 0.6883565 0.83070518 0.57567166 0.70611918 0.64749841 0.57721323 ] } "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_468009539844_002-and-SM_154093256665_000-1711749702-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 161.35392300302448 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 161353923003.0245 } } ]