{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3242435 -4.4764065 -3.2384996 ] [ -0.4547576 -18.8054585 9.6125424 ] [ -22.8492498 4.4453904 -8.7395417 ] [ -2.9046723 -2.1213483 -18.1981545 ] [ 3.4920743 2.0170716 18.5484829 ] [ 10.3976033 5.4119405 -14.9219973 ] [ 12.6432456 13.5288107 16.9371678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.194953551463649e-10 -7.171993839497156e-09 -5.188648345590152e-09 ] [ -7.286019948511181e-10 -3.012966595212464e-08 1.540099069972872e-08 ] [ -3.660853383237908e-08 7.122300569208761e-09 -1.400228938824669e-08 ] [ -4.653798050145364e-09 -3.398774650833825e-09 -2.915665768160632e-08 ] [ 5.594919801556525e-09 3.231704959999649e-09 2.971794565368859e-08 ] [ 1.665879691961293e-08 8.670884542260662e-09 -2.390767520970072e-08 ] [ 2.025671251135247e-08 2.167554421076888e-08 2.713633427172657e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.2848625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.66075327924264e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0759277 1.2712269 1.2505337 ] [ 2.5208689 2.3099298 3.488994 ] [ 1.6224021 4.4274043 2.5272409 ] [ 4.9599377 2.9520169 1.4081 ] [ 4.8728806 2.9436486 3.8693497 ] [ 3.8532488 5.1392843 1.6713998 ] [ 4.8708191 5.4716091 3.963082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0759277e-10 1.2712269e-10 1.2505337e-10 ] [ 2.5208689e-10 2.3099298e-10 3.488994e-10 ] [ 1.6224021e-10 4.4274043e-10 2.5272409e-10 ] [ 4.9599377e-10 2.9520169e-10 1.4081e-10 ] [ 4.8728806e-10 2.9436486e-10 3.8693497e-10 ] [ 3.8532488e-10 5.1392843e-10 1.6713998e-10 ] [ 4.870819100000001e-10 5.4716091e-10 3.963082e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 -8.4e-06 -1.6e-06 ] [ 6.8e-06 -2.8e-06 -5.6e-06 ] [ 1e-06 8.4e-06 -4e-07 ] [ -6e-06 -5.6e-06 -9e-07 ] [ -3.3e-06 4e-07 -8e-07 ] [ -3.5e-06 -7e-07 3e-06 ] [ 3.2e-06 8.7e-06 6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 -1.345828361472e-14 -2.56348259328e-15 ] [ 1.089480102144e-14 -4.48609453824e-15 -8.972189076479999e-15 ] [ 1.6021766208e-15 1.345828361472e-14 -6.408706483200001e-16 ] [ -9.6130597248e-15 -8.972189076479999e-15 -1.44195895872e-15 ] [ -5.28718284864e-15 6.408706483200001e-16 -1.28174129664e-15 ] [ -5.6076181728e-15 -1.12152363456e-15 4.8065298624e-15 ] [ 5.126965186560001e-15 1.393893660096e-14 9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }