{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.723222 4.526694 1.360574 ] [ 2.417536 3.174257 3.140142 ] [ 3.174903 0.8317717 2.605725 ] [ 4.479997 2.361559 1.640517 ] [ 3.774403 1.830324 4.619346 ] [ 4.138625 4.139223 3.615344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.723222e-10 4.526694e-10 1.360574e-10 ] [ 2.417536e-10 3.174257e-10 3.140142e-10 ] [ 3.174903e-10 8.317717e-11 2.605725e-10 ] [ 4.479997e-10 2.361559e-10 1.640517e-10 ] [ 3.774403e-10 1.830324e-10 4.619346e-10 ] [ 4.138625e-10 4.139223000000001e-10 3.615344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3559407 0.2386961 -1.5409588 ] [ -6.4973103 -0.5694171 -0.002657 ] [ -0.2972085 -1.5795604 -0.2067932 ] [ 1.2358196 0.8436674 -1.5774146 ] [ 1.0038775 -1.1626185 1.905579 ] [ 4.198881 2.2292325 1.4222446 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.702798679311865e-10 3.824333108961389e-10 -2.468888162976023e-09 ] [ -1.040983866074303e-08 -9.123067651037358e-10 -4.256983281465601e-12 ] [ -4.761805102030368e-10 -2.530734744021497e-09 -3.313192303804186e-10 ] [ 1.980001270646408e-09 1.351704184011122e-09 -2.527296793428584e-09 ] [ 1.608389060647152e-09 -1.862720179609565e-09 3.053074122887443e-09 ] [ 6.727348971721325e-09 3.571624193827537e-09 2.278687047179048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8745124 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.42185362882797e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9152061 4.2884029 1.9235498 ] [ 1.6531808 2.7714498 3.0706437 ] [ 3.2827841 1.0249664 2.5541241 ] [ 4.5448209 2.5419221 1.407044 ] [ 3.5253381 2.3600554 4.5866797 ] [ 4.7873559 3.8770321 3.4396066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9152061e-10 4.2884029e-10 1.9235498e-10 ] [ 1.6531808e-10 2.7714498e-10 3.070643700000001e-10 ] [ 3.2827841e-10 1.0249664e-10 2.5541241e-10 ] [ 4.544820900000001e-10 2.5419221e-10 1.407044e-10 ] [ 3.5253381e-10 2.3600554e-10 4.5866797e-10 ] [ 4.787355899999999e-10 3.8770321e-10 3.4396066e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.01e-05 -2.54e-05 1.71e-05 ] [ -8.44e-05 -2.2e-06 -5.9e-06 ] [ 5.5e-06 -3.54e-05 -2.67e-05 ] [ 1.3e-06 4.27e-05 2.38e-05 ] [ 1.47e-05 2.17e-05 3.26e-05 ] [ 2.28e-05 -1.4e-06 -4.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.424728249408e-14 -4.069528616832e-14 2.739722021568e-14 ] [ -1.3522370679552e-13 -3.52478856576e-15 -9.45284206272e-15 ] [ 8.8119714144e-15 -5.671705237632e-14 -4.277811577536e-14 ] [ 2.08282960704e-15 6.841294170816001e-14 3.813180357504e-14 ] [ 2.355199632576e-14 3.476723267136e-14 5.223095783807999e-14 ] [ 3.652962695424e-14 -2.24304726912e-15 -6.536880612864e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }