{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.0933472 -15.9262366 -23.9763945 ] [ 8.723815 -0.6506477 34.0411242 ] [ -20.330705 14.5408486 -6.9338744 ] [ -0.7882923 -4.5724438 -4.6678632 ] [ 11.2111675 -1.9754257 6.2751725 ] [ 6.6338275 -1.5447656 -13.1580585 ] [ 12.6435344 10.1286708 8.4198939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.898873787585714e-08 -2.551664393784928e-08 -3.841441871897771e-08 ] [ 1.397709243718435e-08 -1.042452533317292e-09 5.45398933389891e-08 ] [ -3.257338023538166e-08 2.329700767351241e-08 -1.110929145524363e-08 ] [ -1.26298349341666e-09 -7.325862556281912e-09 -7.478741288132675e-09 ] [ 1.796227046037278e-08 -3.164980872667474e-09 1.005393467098709e-08 ] [ 1.062856332692011e-08 -2.474987328936085e-09 -2.108153370381872e-08 ] [ 2.025717521996056e-08 1.622791955553963e-08 1.349015715619653e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3857194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.0231050329669e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6275033 1.8715234 2.5527208 ] [ 2.5125354 3.0452922 4.617282 ] [ 1.8019805 4.3980525 2.4545765 ] [ 3.8938182 1.5736686 1.6218521 ] [ 4.7784099 2.2252873 3.8319009 ] [ 3.8609737 3.9718477 1.0395401 ] [ 4.242368 4.6720403 3.4453028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6275033e-10 1.8715234e-10 2.5527208e-10 ] [ 2.5125354e-10 3.0452922e-10 4.617282000000001e-10 ] [ 1.8019805e-10 4.3980525e-10 2.4545765e-10 ] [ 3.8938182e-10 1.5736686e-10 1.6218521e-10 ] [ 4.7784099e-10 2.2252873e-10 3.8319009e-10 ] [ 3.8609737e-10 3.9718477e-10 1.0395401e-10 ] [ 4.242368e-10 4.6720403e-10 3.4453028e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 8.2e-06 2.34e-05 ] [ -1.27e-05 1.85e-05 2.28e-05 ] [ -2.98e-05 -2.3e-06 -1.6e-05 ] [ 2.52e-05 -2.8e-06 -2.85e-05 ] [ 6.3e-06 -4.87e-05 8.7e-06 ] [ 2.4e-06 7.2e-06 -2.42e-05 ] [ 5.3e-06 2e-05 1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-15 1.313784829056e-14 3.749093292672001e-14 ] [ -2.034764308416e-14 2.96402674848e-14 3.652962695424e-14 ] [ -4.774486329984001e-14 -3.68500622784e-15 -2.56348259328e-14 ] [ 4.037485084416e-14 -4.48609453824e-15 -4.56620336928e-14 ] [ 1.009371271104e-14 -7.802600143296e-14 1.393893660096e-14 ] [ 3.84522388992e-15 1.153567166976e-14 -3.877267422336e-14 ] [ 8.491536090240001e-15 3.2043532416e-14 2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }