{ "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" [ [ -0.134089 0.6935952 -0.5246166 ] [ -2.1123426 -1.7170555 1.3244973 ] [ 0.136738 -0.5617814 0.0048072 ] [ 0.3407726 -0.3050297 -4.5092451 ] [ 1.2451065 -5.6439936 4.9990025 ] [ -2.0637687 5.9457609 -2.5204376 ] [ 2.5875832 1.5885042 1.2259924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.148342609064512e-10 1.1112620137391e-09 -8.405284514035852e-10 ] [ -3.384345928839886e-09 -2.751026178716054e-09 2.122078608372724e-09 ] [ 2.190784267749504e-10 -9.000730250802931e-10 7.70198345150976e-12 ] [ 5.4597789272923e-10 -4.887114539896378e-10 -7.224607076676959e-09 ] [ 1.994880524706115e-09 -9.042674593864827e-09 8.00928493282075e-09 ] [ -3.306521961878809e-09 9.526159106846767e-09 -4.038186196905263e-09 ] [ 4.145765307414851e-09 2.545064291282607e-09 1.964256360558482e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.301279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.932188134453801e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2435495 1.5349883 0.9371876 ] [ 2.0937203 2.017398 4.2680908 ] [ 1.4581076 3.1710441 2.3742281 ] [ 4.3659052 2.0677752 1.656228 ] [ 4.3835237 1.9071703 4.0106587 ] [ 3.5122832 4.2949889 2.08004 ] [ 4.6484185 4.2057522 4.0816678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2435495e-10 1.5349883e-10 9.371876000000001e-11 ] [ 2.0937203e-10 2.017398e-10 4.2680908e-10 ] [ 1.4581076e-10 3.1710441e-10 2.3742281e-10 ] [ 4.3659052e-10 2.0677752e-10 1.656228e-10 ] [ 4.3835237e-10 1.9071703e-10 4.010658699999999e-10 ] [ 3.5122832e-10 4.2949889e-10 2.08004e-10 ] [ 4.6484185e-10 4.2057522e-10 4.0816678e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.01e-05 -3.64e-05 -3.11e-05 ] [ 2.3e-06 1.09e-05 1.11e-05 ] [ -2.16e-05 -1.51e-05 2.7e-05 ] [ 3.93e-05 4.58e-05 7.5e-06 ] [ -6.12e-05 -3.7e-06 -1.16e-05 ] [ 2.15e-05 -6.1e-06 2.31e-05 ] [ 2.97e-05 4.6e-06 -2.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.618198387008e-14 -5.831922899712e-14 -4.982769290688e-14 ] [ 3.68500622784e-15 1.746372516672e-14 1.778416049088e-14 ] [ -3.460701500928e-14 -2.419286697408e-14 4.32587687616e-14 ] [ 6.296554119743999e-14 7.337968923264e-14 1.2016324656e-14 ] [ -9.805320919295999e-14 -5.928053496960001e-15 -1.858524880128e-14 ] [ 3.44467973472e-14 -9.77327738688e-15 3.701027994048e-14 ] [ 4.758464563776e-14 7.370012455680001e-15 -4.16565921408e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.544009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611948415890479e-18 } }