{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.3673447 -34.9077096 -22.5266219 ] [ -37.8385595 53.103267 -1.7911695 ] [ 0.2051081 -35.7152286 12.4738389 ] [ 1.2926706 0.2377389 5.1195753 ] [ 23.4098807 -26.5389996 -21.4169563 ] [ 25.2767497 34.7198549 -9.279345 ] [ 9.0214951 9.1010769 37.4206784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.423426012691479e-08 -5.592831620679571e-08 -3.609162695378128e-08 ] [ -6.062405539564974e-08 8.508081287550016e-08 -2.869769896790026e-09 ] [ 3.286194025567085e-10 -5.722210426944752e-08 1.998529305720559e-08 ] [ 2.071086613715508e-09 3.808997074347092e-10 8.202463854085147e-09 ] [ 3.750676355325713e-08 -4.252016469854055e-08 -3.431374667255527e-08 ] [ 4.049781741915342e-08 5.562733979834832e-08 -1.486714961533738e-08 ] [ 1.445402853388176e-08 1.458153263328294e-08 5.995453606695555e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.432763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.074777828094727e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4504571 0.425848 0.9881299 ] [ 1.5297968 2.7993354 2.7941929 ] [ 2.3492537 -0.127837 3.7889524 ] [ 2.3993249 2.5212515 5.4322664 ] [ 5.1714734 0.6502171 2.5009234 ] [ 4.0033491 2.9971754 1.4284203 ] [ 4.8286881 1.087352 5.2366557 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4504571e-10 4.25848e-11 9.881299e-11 ] [ 1.5297968e-10 2.7993354e-10 2.7941929e-10 ] [ 2.3492537e-10 -1.27837e-11 3.7889524e-10 ] [ 2.3993249e-10 2.5212515e-10 5.4322664e-10 ] [ 5.171473400000001e-10 6.502171e-11 2.5009234e-10 ] [ 4.003349100000001e-10 2.9971754e-10 1.4284203e-10 ] [ 4.8286881e-10 1.087352e-10 5.2366557e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 1.9e-05 4.23e-05 ] [ -5.1e-06 -1.62e-05 2.45e-05 ] [ -3.18e-05 -1.81e-05 -4.33e-05 ] [ -1.59e-05 -1.4e-05 4.81e-05 ] [ 1.55e-05 -2.07e-05 -6.43e-05 ] [ 5.02e-05 -1.75e-05 -3.02e-05 ] [ -1.51e-05 6.77e-05 2.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 3.04413557952e-14 6.777207105984e-14 ] [ -8.17110076608e-15 -2.595526125696e-14 3.92533272096e-14 ] [ -5.094921654144e-14 -2.899939683648e-14 -6.937424768064e-14 ] [ -2.547460827072e-14 -2.24304726912e-14 7.706469546047999e-14 ] [ 2.48337376224e-14 -3.316505605055999e-14 -1.0301995671744e-13 ] [ 8.042926636416e-14 -2.8038090864e-14 -4.838573394816e-14 ] [ -2.419286697408e-14 1.0846735722816e-13 3.701027994048e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.524491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.967950639242002e-18 } }