{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6144277 -5.2324043 -0.3066236 ] [ -10.3963184 -8.3471535 7.6857499 ] [ -6.7133789 2.7927179 -4.6083212 ] [ 6.9412941 -1.1434843 -18.8474434 ] [ 2.735164 -20.4359123 15.3234897 ] [ -8.0788493 23.6505506 -6.174038 ] [ 16.1265163 8.715686 6.9271865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.844217042223618e-10 -8.383235909101125e-09 -4.912651673529624e-10 ] [ -1.665673842010426e-08 -1.337361429811132e-08 1.231392890454783e-08 ] [ -1.075601880876862e-08 4.474427364733548e-09 -7.38334454860684e-09 ] [ 1.112117921674206e-08 -1.832063826805846e-09 -3.019693342611751e-08 ] [ 4.382215850957976e-09 -3.274194118153319e-08 2.455093714867967e-08 ] [ -1.294374357806726e-08 3.789235955255468e-08 -9.89189942102809e-09 ] [ 2.583752760368013e-08 1.396406845848092e-08 1.109857634966024e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.323241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.653965551735079e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.440628 1.074768 1.9111048 ] [ 2.1993234 2.6313498 4.1713293 ] [ 1.0387079 3.2940634 1.8488196 ] [ 4.5312232 2.4678318 1.13882 ] [ 4.6039579 1.4364489 3.5551363 ] [ 3.3464621 4.4142844 2.2694479 ] [ 4.5452056 3.8803709 4.5134431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.440628e-10 1.074768e-10 1.9111048e-10 ] [ 2.1993234e-10 2.6313498e-10 4.1713293e-10 ] [ 1.0387079e-10 3.2940634e-10 1.8488196e-10 ] [ 4.5312232e-10 2.4678318e-10 1.13882e-10 ] [ 4.6039579e-10 1.4364489e-10 3.5551363e-10 ] [ 3.3464621e-10 4.4142844e-10 2.2694479e-10 ] [ 4.5452056e-10 3.8803709e-10 4.5134431e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.07e-05 -1.55e-05 1.07e-05 ] [ 1.23e-05 2.98e-05 -4.05e-05 ] [ 3.93e-05 1.2e-06 1.05e-05 ] [ -4.9e-05 -2.05e-05 -1.86e-05 ] [ -1.53e-05 3.1e-05 -1.94e-05 ] [ 8.6e-06 -2.2e-05 5.2e-05 ] [ -2.65e-05 -4e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.91868226638e-14 -2.4833737827e-14 1.71432899838e-14 ] [ 1.97067725982e-14 4.77448636932e-14 -6.4888153677e-14 ] [ 6.29655417162e-14 1.9226119608e-15 1.6822854657e-14 ] [ -7.850665506599998e-14 -3.2844620997e-14 -2.98004853924e-14 ] [ -2.45133025002e-14 4.966747565399999e-14 -3.10822266996e-14 ] [ 1.37787190524e-14 -3.5247885948e-14 8.331318496799998e-14 ] [ -4.2457680801e-14 -6.408706535999999e-15 8.4915361602e-15 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730165654734e-18 } }