{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2290077 -6.5889568 -13.93798 ] [ -7.2929788 -2.6900222 6.2636981 ] [ -8.4304047 14.4339684 16.1062083 ] [ 18.8815034 -16.2370224 4.3011494 ] [ 6.0708878 11.082033 -12.7330757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.478650037012318e-08 -1.055667254042118e-08 -2.233110569717798e-08 ] [ -1.168464012935004e-08 -4.309890678272982e-09 1.003555065556938e-08 ] [ -1.350699731422244e-08 2.312576671584598e-08 2.580499038799491e-08 ] [ 3.025150331303571e-08 -2.601457768068591e-08 6.891201011247947e-09 ] [ 9.726634500659947e-09 1.775537418353409e-08 -2.040063619741659e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.10689828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.712699250197322e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.5639049 1.2167308 0.8294739 ] [ 0.2742751 0.451135 3.1857208 ] [ 0.9691378 2.8215358 2.8389268 ] [ 2.6079205 0.8471601 2.3988302 ] [ 2.4863511 2.8058284 0.8590898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.639049e-11 1.2167308e-10 8.294739e-11 ] [ 2.742751e-11 4.51135e-11 3.1857208e-10 ] [ 9.691378e-11 2.8215358e-10 2.8389268e-10 ] [ 2.6079205e-10 8.471601e-11 2.3988302e-10 ] [ 2.4863511e-10 2.8058284e-10 8.590898000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.48e-05 -5.1e-06 -3.13e-05 ] [ -1.58e-05 -4.67e-05 2.18e-05 ] [ -7.6e-06 6.74e-05 -1.06e-05 ] [ 5e-05 -3.3e-06 -1.12e-05 ] [ 1.81e-05 -1.25e-05 3.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.177751261183999e-14 -8.17110076608e-15 -5.014812823104e-14 ] [ -2.531439060864e-14 -7.482164819136e-14 3.492745033344e-14 ] [ -1.217654231808e-14 1.0798670424192e-13 -1.698307218048e-14 ] [ 8.010883104e-14 -5.28718284864e-15 -1.794437815296e-14 ] [ 2.899939683648e-14 -2.002720776e-14 5.014812823104e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }