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1%.\nSee pipeline.stdout for calculation details." 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"kg / m s^2" "si-value" [ [ 1657535138.362142 1388524312.016138 1101720989.970264 -429755614.9334741 -152975407.5738069 -53914268.67940511 ] [ 1388524312.016138 1452035822.785188 973067152.1996397 -449405923.274914 -248950915.82212 -158973740.0382555 ] [ 1101720989.970264 973067152.1996397 1687566370.216301 -529711524.9679718 -60388104.52824178 -21704285.95631101 ] [ -429755614.9334741 -449405923.274914 -529711524.9679718 384294653.4590343 88240159.23933159 -15531413.88439532 ] [ -152975407.5738069 -248950915.82212 -60388104.52824178 88240159.23933159 173559976.6147637 -39933310.19427461 ] [ -53914268.67940511 -158973740.0382555 -21704285.95631101 -15531413.88439532 -39933310.19427461 365075598.7778865 ] ] } "distance-to-isotropy" { "source-value" 2.4617899477296783 } } { "property-id" "tag:staff@noreply.openkim.org,2024-07-10:property/bulk-modulus-isothermal-npt" "instance-id" 4 "disclaimer" "Elastic constants calculation had an uncertainty or deviation from material symmetry greater than 1%.\nSee pipeline.stdout for calculation details." "prototype-label" { "source-value" "A2B_aP12_1_8a_4a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 5.2126 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.2126e-10 } "parameter-names" { "source-value" [ "b/a" "c/a" "alpha" "beta" "gamma" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" "x12" "y12" "z12" ] } "parameter-values" { "source-value" [ 0.95693128 1.4061313 102.1892 85.927 109.0532 0.25854083 0.87145722 0.42131365 0.40859844 0.67755919 0.39907129 0.92591181 0.41747745 0.55892302 0.48334954 0.42910041 0.76503469 0.75137166 0.010490282 0.77097245 0.72708957 0.77352297 0.04606646 0.98221215 0.44364099 0.15252421 0.24837706 0.83642436 0.91598922 0.98149719 0.64954673 0.0063169837 0.53330974 0.7721887 0.87151744 0.082926898 0.52993224 0.3759549 0.72207512 0.28843947 0.71631568 ] } "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-4.poscar" } "crystal-genome-source-structure-id" { "source-value" [ "TE_813636514567_002-and-SM_282799919035_000-1711747663-tr:4" ] } "isothermal-bulk-modulus" { "source-value" 81.0392067626412 "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" 81039206762.6412 } } ]