{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -360.4229603 -130.7765628 -82.6772501 ] [ -609.2854114 -446.3561329 -229.4412915 ] [ -47.8151288 66.8313847 -27.5749439 ] [ 22.6105408 -27.5511841 -91.060689 ] [ 362.5983268 55.8640846 275.3621985 ] [ 632.3146329 481.9884104 155.3919761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.774612453497696e-07 -2.095271531929936e-07 -1.324635582735942e-07 ] [ -9.761828495821573e-07 -7.151413665749785e-07 -3.676054761160828e-07 ] [ -7.660828211506044e-08 1.070756829842051e-07 -4.417993080044083e-08 ] [ 3.622608015186366e-08 -4.414186340405232e-08 -1.458953081917408e-07 ] [ 5.809465667264559e-07 8.950413102591923e-08 4.411788803235698e-07 ] [ 1.013079730168667e-06 7.722305690016826e-07 2.489653932185064e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 488.1217 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.820571822883578e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.2564846 0.3605158 2.5590556 ] [ 0.8491205 1.3343677 0.0496846 ] [ 0.5879066 3.2599251 2.6168089 ] [ 3.242844 -3.19e-05 1.0280388 ] [ 2.3871202 0.8140055 3.6875086 ] [ 3.2213892 2.9885883 1.4646047 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.564846e-11 3.605158e-11 2.5590556e-10 ] [ 8.491205e-11 1.3343677e-10 4.96846e-12 ] [ 5.879065999999999e-11 3.2599251e-10 2.6168089e-10 ] [ 3.242844e-10 -3.190000000000001e-15 1.0280388e-10 ] [ 2.3871202e-10 8.140055e-11 3.687508600000001e-10 ] [ 3.2213892e-10 2.9885883e-10 1.4646047e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.41e-05 8.6e-06 2.48e-05 ] [ 7.6e-06 8.5e-06 1.24e-05 ] [ 9.2e-06 -3.1e-06 -3.23e-05 ] [ 2.47e-05 3.4e-06 -1.59e-05 ] [ 2.5e-06 -1.88e-05 1.1e-06 ] [ -1.98e-05 1.5e-06 9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.86124568794e-14 1.37787190524e-14 3.97339805232e-14 ] [ 1.21765424184e-14 1.3618501389e-14 1.98669902616e-14 ] [ 1.47400250328e-14 -4.9667475654e-15 -5.17503052782e-14 ] [ 3.95737628598e-14 5.4474005556e-15 -2.54746084806e-14 ] [ 4.005441585e-15 -3.012092071919999e-14 1.7623942974e-15 ] [ -3.17230973532e-14 2.403264951e-15 1.58615486766e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.167678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.430129928363585e-18 } }