{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.140092 -112.3003134 68.9810684 ] [ 33.1202381 148.0009169 -135.0321101 ] [ -115.3514335 47.2236241 47.4455424 ] [ 257.7911907 52.4065271 234.2277111 ] [ -161.4199033 -135.3307546 -215.6222118 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.265492481836112e-08 -1.79924936637993e-07 1.105198550682857e-07 ] [ 5.306447115914942e-08 2.371236089141436e-07 -2.163452898595116e-07 ] [ -1.848133699294659e-07 7.566058648246745e-08 7.601613879445512e-08 ] [ 4.130270187877344e-07 8.396451249694162e-08 3.752741626679167e-07 ] [ -2.586231951990567e-07 -2.168237710953421e-07 -3.454648666711459e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 196.80848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.153219454311844e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0798456 -0.4767725 2.5587806 ] [ 1.1075326 2.7571437 0.0209646 ] [ -0.2897851 2.0503845 2.0919729 ] [ 3.7042228 1.3937933 2.8726781 ] [ 1.9735952 0.6934547 1.2794007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.98456e-12 -4.767725e-11 2.5587806e-10 ] [ 1.1075326e-10 2.7571437e-10 2.09646e-12 ] [ -2.897851e-11 2.0503845e-10 2.0919729e-10 ] [ 3.7042228e-10 1.3937933e-10 2.8726781e-10 ] [ 1.9735952e-10 6.934547e-11 1.2794007e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.06e-05 -1.79e-05 9e-07 ] [ -2.27e-05 -1.46e-05 2.53e-05 ] [ 6.1e-06 2.11e-05 -2.77e-05 ] [ 4.11e-05 9.1e-06 1.94e-05 ] [ -3.9e-06 2.3e-06 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.300483838848e-14 -2.867896151232001e-14 1.44195895872e-15 ] [ -3.636940929216e-14 -2.339177866368e-14 4.053506850624e-14 ] [ 9.77327738688e-15 3.380592669888e-14 -4.438029239616e-14 ] [ 6.584945911488e-14 1.457980724928e-14 3.108222644352e-14 ] [ -6.24848882112e-15 3.68500622784e-15 -2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.168718 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.430296534710814e-18 } }