{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2387009 -0.9682876 -4.9139434 ] [ -2.9909237 -5.3292782 4.0991314 ] [ 3.5402315 2.0000387 -3.3266214 ] [ -0.497396 0.2593337 -0.5048733 ] [ 7.1867891 4.0381934 4.6463067 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.159767734694392e-08 -1.551367754930542e-09 -7.873005231414462e-09 ] [ -4.791988026736633e-09 -8.538444937779107e-09 6.567532494667174e-09 ] [ 5.672076141519715e-09 3.204415245835225e-09 -5.329835033332965e-09 ] [ -7.969162424794367e-10 4.15498391125561e-10 -8.088961977261446e-10 ] [ 1.151450547464027e-08 6.469899055748863e-09 7.444203967806399e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5781688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.053938825903599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7256637 1.6960907 1.7844974 ] [ 1.9187468 0.4173136 3.7488496 ] [ 3.6360801 3.0569632 1.6124986 ] [ 3.9485858 0.9877092 4.7907838 ] [ 5.0097176 2.6194741 3.4707166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7256637e-10 1.6960907e-10 1.7844974e-10 ] [ 1.9187468e-10 4.173136e-11 3.7488496e-10 ] [ 3.6360801e-10 3.0569632e-10 1.6124986e-10 ] [ 3.9485858e-10 9.877092e-11 4.7907838e-10 ] [ 5.009717600000001e-10 2.6194741e-10 3.4707166e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 2.11e-05 -1.98e-05 ] [ -2.44e-05 -2.52e-05 -7.2e-06 ] [ -6.5e-06 -7.7e-06 2.95e-05 ] [ 1.97e-05 1.22e-05 3.63e-05 ] [ -2.4e-06 -5e-07 -3.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 3.380592669888e-14 -3.172309709184e-14 ] [ -3.909310954752e-14 -4.037485084416e-14 -1.153567166976e-14 ] [ -1.04141480352e-14 -1.233675998016e-14 4.72642103136e-14 ] [ 3.156287942976e-14 1.954655477376e-14 5.815901133504e-14 ] [ -3.84522388992e-15 -8.010883104e-16 -6.216445288704e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.57084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853852933101747e-18 } }