{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9531107 -8.7822869 -0.5120613 ] [ -11.2419147 3.7138596 -14.4675002 ] [ -3.8111876 5.8541839 9.4909835 ] [ 0.5786046 -1.5086487 -3.3128885 ] [ 4.3401523 -16.0358268 7.8325867 ] [ 12.0874562 16.758719 0.9688799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.129228327155384e-09 -1.407077486426429e-08 -8.204126500356643e-10 ] [ -1.801153305376112e-08 5.950259073076586e-09 -2.317949077283032e-08 ] [ -6.106195720510538e-09 9.379436655718991e-09 1.520623199737954e-08 ] [ 9.270267704449164e-10 -2.417121696054475e-09 -5.307832545747309e-09 ] [ 6.953690603061357e-09 -2.569222700583099e-08 1.254918739451917e-08 ] [ 1.936623988813843e-08 2.685042799757184e-08 1.552316736932256e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.1093424707723924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.75185951775355e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.1142493 0.4404654 2.655992 ] [ 1.3501438 2.9543441 0.6652474 ] [ 0.4382598 2.6723144 2.90026 ] [ 2.1589586 0.7670589 0.4917361 ] [ 3.5177795 0.877464 2.5036384 ] [ 2.8245564 3.1159316 2.584125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1142493e-10 4.404654000000001e-11 2.655992e-10 ] [ 1.3501438e-10 2.9543441e-10 6.652474e-11 ] [ 4.382598e-11 2.6723144e-10 2.90026e-10 ] [ 2.1589586e-10 7.670589e-11 4.917361e-11 ] [ 3.5177795e-10 8.774640000000001e-11 2.5036384e-10 ] [ 2.8245564e-10 3.1159316e-10 2.584125e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 4.9e-05 3.1e-06 ] [ -6.5e-06 -3.82e-05 2.13e-05 ] [ 4.27e-05 -1.95e-05 -1.12e-05 ] [ 4.6e-06 4.29e-05 -1.58e-05 ] [ -3.9e-06 1.47e-05 2.26e-05 ] [ -2.92e-05 -4.89e-05 -2.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23367600818e-14 7.850665506599998e-14 4.9667475654e-15 ] [ -1.0414148121e-14 -6.12031474188e-14 3.41263623042e-14 ] [ 6.84129422718e-14 -3.1242444363e-14 -1.79443783008e-14 ] [ 7.370012516399999e-15 6.873337759859999e-14 -2.53143908172e-14 ] [ -6.248488872599999e-15 2.35519965198e-14 3.62091919284e-14 ] [ -4.67835577128e-14 -7.834643740259999e-14 -3.22037503434e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.509304719227607 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.64508222647324e-18 } }