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"prototype-label" { "source-value" "A2B_hP36_163_g3h_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 12.157399999999999 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.21574e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.42161975 0.40168945 0.59696414 0.2082262 0.36496956 0.86332044 0.49176309 ] } "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_573872672238_002-and-SM_282799919035_000-1711749672-tr:2" ] } "isothermal-bulk-modulus" { "source-value" 68.32916128047843 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 68329161280.47843 } } ]