{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8376673 -1.4795787 0.185985 ] [ 1.2900752 -6.5991493 1.4215085 ] [ -0.9466634 -0.8993997 -0.0794958 ] [ 0.810732 0.732382 -0.8989146 ] [ 2.9196838 2.225708 0.6264068 ] [ -2.3557667 2.7574005 -6.3791389 ] [ 0.1196063 3.2626373 5.1236491 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.94426758486866e-09 -2.370546401773657e-09 2.97980818819488e-10 ] [ 2.066928324513884e-09 -1.057300272562868e-08 2.277507684968477e-09 ] [ -1.516721967247039e-09 -1.440997172094534e-09 -1.273663122117927e-10 ] [ 1.298935856134426e-09 1.173405317894746e-09 -1.440219956215784e-09 ] [ 4.677849124488503e-09 3.565977322327526e-09 1.003614330070142e-09 ] [ -3.774354330799168e-09 4.417842615282231e-09 -1.022050720641583e-08 ] [ 1.91630417560391e-10 5.227321204210037e-09 8.208990801202962e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.553261158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.897305198032638e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7326062 2.9067264 2.5901685 ] [ 4.9980949 1.3296444 1.8101427 ] [ 5.41092 2.2529824 4.0661904 ] [ 3.2706718 1.3158367 3.5168672 ] [ 5.6442812 3.694848 2.1279624 ] [ 3.5663215 3.1425019 1.0613625 ] [ 3.6490404 3.8957625 3.5566744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7326062e-10 2.9067264e-10 2.5901685e-10 ] [ 4.998094900000001e-10 1.3296444e-10 1.8101427e-10 ] [ 5.410920000000001e-10 2.2529824e-10 4.0661904e-10 ] [ 3.2706718e-10 1.3158367e-10 3.5168672e-10 ] [ 5.6442812e-10 3.694848e-10 2.1279624e-10 ] [ 3.5663215e-10 3.1425019e-10 1.0613625e-10 ] [ 3.6490404e-10 3.8957625e-10 3.5566744e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 -2.6e-06 -4e-06 ] [ 1.11e-05 -3e-07 -2.29e-05 ] [ -5.1e-06 -4e-06 5.7e-06 ] [ 4e-07 1.7e-06 1.59e-05 ] [ -5.2e-06 -4.7e-06 8.2e-06 ] [ -2.3e-06 1.3e-06 8.2e-06 ] [ 6.9e-06 8.7e-06 -1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 -4.16565921408e-15 -6.4087064832e-15 ] [ 1.778416049088e-14 -4.8065298624e-16 -3.668984461632e-14 ] [ -8.17110076608e-15 -6.4087064832e-15 9.13240673856e-15 ] [ 6.408706483200001e-16 2.72370025536e-15 2.547460827072e-14 ] [ -8.33131842816e-15 -7.53023011776e-15 1.313784829056e-14 ] [ -3.68500622784e-15 2.08282960704e-15 1.313784829056e-14 ] [ 1.105501868352e-14 1.393893660096e-14 -1.778416049088e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }