{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8848645 -1.8369433 -3.5322473 ] [ 0.6445085 0.0475958 0.3105196 ] [ -0.4097097 -0.056073 -0.3796285 ] [ -0.5215181 1.355348 0.1112724 ] [ 3.1715838 0.4900724 3.4900837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.622062494156092e-09 -2.943107633242852e-09 -5.659284089569587e-09 ] [ 1.032616459114389e-09 7.625687863653719e-11 4.975072475190264e-10 ] [ -6.564273080631498e-10 -8.983885039828199e-11 -6.082319123004689e-10 ] [ -8.355641140280753e-10 2.171506896538632e-09 1.782780392891016e-10 ] [ 5.081437457132929e-09 7.851825482483015e-10 5.591730554844266e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3879269 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.183676385288005e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.409357 2.5975696 0.7556331 ] [ 3.1934142 3.3240465 4.7216015 ] [ 1.9124381 0.4393487 0.1364156 ] [ 1.5052826 4.3642179 -0.4062202 ] [ 3.8106251 2.989147 2.5364902 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.409357e-10 2.5975696e-10 7.556330999999999e-11 ] [ 3.1934142e-10 3.3240465e-10 4.7216015e-10 ] [ 1.9124381e-10 4.393487e-11 1.364156e-11 ] [ 1.5052826e-10 4.3642179e-10 -4.062202e-11 ] [ 3.8106251e-10 2.989147e-10 2.5364902e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.23e-05 5.4e-05 -2.96e-05 ] [ -4.56e-05 -5.5e-06 -1.55e-05 ] [ -1.9e-05 -9.1e-06 2.53e-05 ] [ 1.2e-06 -3.35e-05 5.12e-05 ] [ 3.1e-05 -5.9e-06 -3.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.17503052782e-14 8.651753823599998e-14 -4.74244283664e-14 ] [ -7.30592545104e-14 -8.811971486999999e-15 -2.4833737827e-14 ] [ -3.0441356046e-14 -1.45798073694e-14 4.053506884019999e-14 ] [ 1.9226119608e-15 -5.367291723899999e-14 8.20314436608e-14 ] [ 4.966747565399999e-14 -9.452842140600001e-15 -5.046856397099999e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.575945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.694453196146913e-18 } }