{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2960176 -2.6364416 -4.187268 ] [ 1.6203369 -6.0904983 -0.387426 ] [ -2.7165532 2.4389135 -4.3372923 ] [ -1.1603817 -3.1378042 2.7844296 ] [ 5.2398204 1.8063107 0.8404416 ] [ 2.6854775 4.8060817 -4.0464241 ] [ 0.6273178 2.8134383 9.3335392 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.008733220286533e-08 -4.224045093624546e-09 -6.708742894623975e-09 ] [ 2.596065898999548e-09 -9.758053985282145e-09 -6.207248794900609e-10 ] [ -4.352398026199426e-09 3.9075701898535e-09 -6.949108320635859e-09 ] [ -1.85913643094416e-09 -5.027316529888047e-09 4.461148007383496e-09 ] [ 8.395117742070905e-09 2.894028773440883e-09 1.346535882667745e-09 ] [ 4.302609266184432e-09 7.700191737394719e-09 -6.483086090861682e-09 ] [ 1.00507391297169e-09 4.507625068323297e-09 1.495397829556034e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.378551 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.983262501158046e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6975011 2.7647614 2.6652748 ] [ 4.7252238 1.2593655 1.690881 ] [ 3.3101099 3.0560355 0.8720226 ] [ 3.774378 1.9692836 3.9936424 ] [ 5.9958965 2.9253213 3.0654084 ] [ 4.5526603 4.6851146 2.2161176 ] [ 2.9681734 4.4307273 4.0397925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6975011e-10 2.7647614e-10 2.6652748e-10 ] [ 4.7252238e-10 1.2593655e-10 1.690881e-10 ] [ 3.3101099e-10 3.0560355e-10 8.720226e-11 ] [ 3.774378e-10 1.9692836e-10 3.9936424e-10 ] [ 5.9958965e-10 2.9253213e-10 3.0654084e-10 ] [ 4.552660300000001e-10 4.685114600000001e-10 2.2161176e-10 ] [ 2.9681734e-10 4.4307273e-10 4.0397925e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 1.29e-05 -4.5e-06 ] [ -2.8e-06 1.9e-06 1.04e-05 ] [ 2.3e-06 -2.4e-06 8e-07 ] [ 4.1e-06 -5.6e-06 6.4e-06 ] [ 8.6e-06 -9e-07 -8.4e-06 ] [ -5.2e-06 8.5e-06 3.2e-06 ] [ -4e-07 -1.43e-05 -7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057436569728e-14 2.066807840832e-14 -7.2097947936e-15 ] [ -4.48609453824e-15 3.04413557952e-15 1.666263685632e-14 ] [ 3.68500622784e-15 -3.84522388992e-15 1.28174129664e-15 ] [ 6.568924145279999e-15 -8.972189076479999e-15 1.025393037312e-14 ] [ 1.377871893888e-14 -1.44195895872e-15 -1.345828361472e-14 ] [ -8.33131842816e-15 1.36185012768e-14 5.126965186560001e-15 ] [ -6.408706483200001e-16 -2.291112567744e-14 -1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }