{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6676482 -1.7679127 -0.0567364 ] [ -2.7264722 3.3682915 -2.6612526 ] [ 1.7379306 0.0544146 2.9471993 ] [ -0.1979883 -0.296164 0.3761318 ] [ 0.3829253 -0.5834353 -0.0219872 ] [ -0.1156258 -0.4114029 1.5667146 ] [ -1.7484178 -0.3637912 -2.1500695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.274043613772158e-09 -2.832508418891852e-09 -9.090173437727759e-11 ] [ -4.368290052090575e-09 5.396597937800811e-09 -4.263796732891748e-09 ] [ 2.784471798833601e-09 8.71818006684564e-11 4.721933854201155e-09 ] [ -3.172122280653822e-10 -4.745070406319759e-10 6.026295812643612e-10 ] [ 6.135139682274401e-10 -9.3476640511078e-10 -3.52273780870848e-11 ] [ -1.852529550475572e-10 -6.591401135398386e-10 2.510153524266656e-09 ] [ -2.801274145629685e-09 -5.828577602948207e-10 -3.444791114376062e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.274819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.248384126037925e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3857562 1.2950029 2.0768737 ] [ 1.227036 3.5124827 2.2952242 ] [ 2.0646717 2.0044824 3.8509505 ] [ 2.8800344 5.0620789 2.895719 ] [ 5.0382957 2.8450592 2.6774295 ] [ 3.3318245 3.5108961 1.080009 ] [ 3.7281046 3.5642927 4.4556307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3857562e-10 1.2950029e-10 2.0768737e-10 ] [ 1.227036e-10 3.5124827e-10 2.2952242e-10 ] [ 2.0646717e-10 2.0044824e-10 3.8509505e-10 ] [ 2.8800344e-10 5.062078900000001e-10 2.895719000000001e-10 ] [ 5.038295700000001e-10 2.8450592e-10 2.6774295e-10 ] [ 3.3318245e-10 3.5108961e-10 1.080009e-10 ] [ 3.7281046e-10 3.5642927e-10 4.4556307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.23e-05 -2.12e-05 -1.58e-05 ] [ 3.14e-05 -1.75e-05 -4.8e-06 ] [ 1.28e-05 3.49e-05 -6e-06 ] [ -2.6e-05 5.5e-06 1.74e-05 ] [ 2.23e-05 -1.06e-05 -7.8e-06 ] [ -8.3e-06 -0.0 -9.9e-06 ] [ -1e-05 9e-06 2.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.572853893819999e-14 -3.39661446408e-14 -2.53143908172e-14 ] [ 5.030834630759999e-14 -2.8038091095e-14 -7.690447843199998e-15 ] [ 2.05078609152e-14 5.59159645266e-14 -9.613059803999999e-15 ] [ -4.165659248399999e-14 8.811971486999999e-15 2.78778734316e-14 ] [ 3.572853893819999e-14 -1.69830723204e-14 -1.24969777452e-14 ] [ -1.32980660622e-14 0.0 -1.58615486766e-14 ] [ -1.602176634e-14 1.4419589706e-14 4.293833379119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }