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4.3671117168958976e-15 ] [ 0.016510356891337494 0.008827092533089734 0.003986906759213077 0.0 0.0 1.1046085373944292e-15 ] [ 0.042833283339054215 0.003986906759213077 0.016541345671775728 0.0 0.0 1.7012626879833404e-19 ] [ 0.0 0.0 0.0 0.011135895583086293 9.690406056119499e-17 0.0 ] [ 0.0 0.0 0.0 9.690406056119499e-17 25.997376176954493 0.0 ] [ 4.3671117168958976e-15 1.1046085373944292e-15 1.7012626879833404e-19 0.0 0.0 148.17214285673512 ] ] "uncert-lev-of-confid" 95.0 "si-unit" "kg / m s^2" "si-value" [ [ 155854177791.806 3130678269.635324 13197185601.2913 0.0 0.0 -2.526059376133207e-06 ] [ 3130678269.635324 148917282487.3309 60244229702.88445 0.0 0.0 -2.68653164498238e-06 ] [ 13197185601.2913 60244229702.88445 205311006848.9137 0.0 0.0 -9.369878824696534e-07 ] [ 0.0 0.0 0.0 50912170945.47973 -9.026411281933241e-07 0.0 ] [ 0.0 0.0 0.0 -9.026411281933241e-07 40877289401.93087 0.0 ] [ -2.526059376133207e-06 -2.68653164498238e-06 -9.369878824696534e-07 0.0 0.0 64430843910.13899 ] ] } "elasticity-matrix-structure" { "source-value" "matrix-structure-5.svg" } "distance-to-isotropy" { "source-value" 0.6426328986154243 } } { "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" "instance-id" 6 "disclaimer" "Elastic constants calculation had a relative 95% uncertainty greater than 0.02 and/or relative deviation from material symmetry greater than 0.01.\nSee stdout and logs for calculation details." "prototype-label" { "source-value" "A2B_oC24_20_abc_c" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.991292887265761 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.991292887265761e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 1.7835452900465147 1.6698332882574334 0.4731341288584361 0.3201565881259072 0.3808367310985723 0.28174066897791844 0.4649259169074873 0.5743623023109077 0.1690705138584314 0.5625122062963559 ] } "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 } "crystal-genome-source-structure-id" { "source-value" [ [ "RD_643892983050_000" ] ] } "coordinates-file" { "source-value" "instance-6.poscar" } "coordinates-file-conventional" { "source-value" "conventional.instance-6.poscar" } "isothermal-bulk-modulus" { "source-value" 69.58058252605898 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 69580582526.05898 } } ]