{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.8254427 -21.4209725 -29.0178563 ] [ 12.5452077 -1.8934357 42.2868665 ] [ -10.8660283 19.8619053 -14.9355197 ] [ -2.532745 -8.1972993 -6.4552336 ] [ 11.6373193 -2.0100129 9.3838093 ] [ -1.4568545 -4.9035115 -22.8375844 ] [ 11.4985435 18.5633266 21.5755181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.336603768664587e-08 -3.432018161705656e-08 -4.649173133262969e-08 ] [ 2.009963864561688e-08 -3.033618436521434e-09 6.775102943137736e-08 ] [ -1.740929664664274e-08 3.182228057838075e-08 -2.392934067998669e-08 ] [ -4.057904858880329e-09 -1.313352140036455e-08 -1.03424244409317e-08 ] [ 1.864504106485724e-08 -3.220395702418579e-09 1.503451999837189e-08 ] [ -2.334138239037752e-09 -7.856291549850289e-09 -3.658984410268291e-08 ] [ 1.842269772073258e-08 2.974172812783066e-08 3.456779096626407e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.071695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.92139795577463e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3983676 1.8056574 2.4057248 ] [ 2.3881924 2.6781547 4.6487897 ] [ 1.9728456 4.3870769 2.6376547 ] [ 3.7378113 1.2805014 1.612277 ] [ 4.7232035 2.6081129 3.6366773 ] [ 4.1084435 3.8067338 1.1711167 ] [ 4.3887251 5.191475 3.4509349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3983676e-10 1.8056574e-10 2.4057248e-10 ] [ 2.3881924e-10 2.6781547e-10 4.6487897e-10 ] [ 1.9728456e-10 4.3870769e-10 2.6376547e-10 ] [ 3.7378113e-10 1.2805014e-10 1.612277e-10 ] [ 4.723203500000001e-10 2.6081129e-10 3.6366773e-10 ] [ 4.1084435e-10 3.8067338e-10 1.1711167e-10 ] [ 4.3887251e-10 5.191474999999999e-10 3.4509349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.22e-05 2.03e-05 1.97e-05 ] [ -4.6e-06 -9.6e-06 -2.76e-05 ] [ -3.9e-06 -6e-06 -2.8e-05 ] [ 2.2e-06 -9.7e-06 4.98e-05 ] [ -1.34e-05 -2.03e-05 -4.53e-05 ] [ -2.38e-05 2.71e-05 1.67e-05 ] [ 1.13e-05 -1.9e-06 1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.159008761479998e-14 3.252418567019999e-14 3.15628796898e-14 ] [ -7.370012516399999e-15 -1.53808956864e-14 -4.42200750984e-14 ] [ -6.248488872599999e-15 -9.613059803999999e-15 -4.486094575199999e-14 ] [ 3.5247885948e-15 -1.55411133498e-14 7.978839637319999e-14 ] [ -2.14691668956e-14 -3.252418567019999e-14 -7.25786015202e-14 ] [ -3.81318038892e-14 4.34189867814e-14 2.67563497878e-14 ] [ 1.81045959642e-14 -3.0441356046e-15 2.35519965198e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.755005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.805971395155317e-18 } }