{ "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" [ [ -0.7962297 -1.5640579 -0.7770068 ] [ -2.0915506 3.9293774 0.8193801 ] [ -0.0949863 -2.2450785 0.9589467 ] [ 1.3144177 -0.6807585 -1.4667169 ] [ 1.645104 -1.0876309 -1.1081056 ] [ 0.9746537 0.9879324 -0.3574112 ] [ -0.9514087 0.660216 1.9309137 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.275700610126598e-09 -2.505897000957544e-09 -1.244902129162621e-09 ] [ -3.351033472540213e-09 6.29555660457989e-09 1.312791639768766e-09 ] [ -1.52184829156295e-10 -3.597012284560733e-09 1.536401983333312e-09 ] [ 2.105929308905708e-09 -1.090695353110877e-09 -2.349939526512252e-09 ] [ 2.635747167584563e-09 -1.742576800039663e-09 -1.775380885697557e-09 ] [ 1.561567371516217e-09 1.582842194210834e-09 -5.726358686520729e-10 ] [ -1.524324775965721e-09 1.057782639878093e-09 3.093664786922425e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.749958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.004074434858193e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1240163 0.5619043 1.2372547 ] [ 2.4083657 3.317726 3.1542126 ] [ 2.6663992 -0.1283626 3.3667242 ] [ 2.3698344 1.7137612 4.8117485 ] [ 4.8434893 0.8624768 2.9829873 ] [ 3.6539856 2.2767353 1.5151937 ] [ 4.6662526 1.7491014 5.10142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1240163e-10 5.619043e-11 1.2372547e-10 ] [ 2.4083657e-10 3.317726e-10 3.1542126e-10 ] [ 2.6663992e-10 -1.283626e-11 3.3667242e-10 ] [ 2.3698344e-10 1.7137612e-10 4.8117485e-10 ] [ 4.8434893e-10 8.624768e-11 2.9829873e-10 ] [ 3.6539856e-10 2.2767353e-10 1.5151937e-10 ] [ 4.6662526e-10 1.7491014e-10 5.10142e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.61e-05 -4.5e-06 1.64e-05 ] [ 1.52e-05 1.11e-05 1.01e-05 ] [ -2.05e-05 -7.4e-06 1.74e-05 ] [ 3.4e-06 -1.42e-05 -3.65e-05 ] [ -1.25e-05 3.2e-05 -2.98e-05 ] [ -2.3e-06 -1.33e-05 2e-06 ] [ 6e-07 -3.7e-06 2.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.579504359488e-14 -7.2097947936e-15 2.627569658112e-14 ] [ 2.435308463616e-14 1.778416049088e-14 1.618198387008e-14 ] [ -3.28446207264e-14 -1.185610699392e-14 2.787787320192e-14 ] [ 5.44740051072e-15 -2.275090801536e-14 -5.84794466592e-14 ] [ -2.002720776e-14 5.12696518656e-14 -4.774486329984001e-14 ] [ -3.68500622784e-15 -2.130894905664e-14 3.2043532416e-15 ] [ 9.6130597248e-16 -5.928053496960001e-15 3.28446207264e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.544009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611948415890479e-18 } }