{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4167249 -0.4999779 -0.2596289 ] [ -0.8968748 1.1479175 0.3652782 ] [ -0.1685961 -1.3711014 -0.3114932 ] [ -0.7963996 0.2789847 0.5895105 ] [ 0.0 0.0 0.0 ] [ 0.8909366 -0.967224 -0.2803522 ] [ 0.5542091 1.4114012 -0.1033144 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.676668975859866e-10 -8.010529088963885e-10 -4.159713570911226e-10 ] [ -1.436951848183423e-09 1.839166596259695e-09 5.852401969495788e-10 ] [ -2.701207320035274e-10 -2.196746625924687e-09 -4.990671266898888e-10 ] [ -1.275972830446946e-09 4.469827675834998e-10 9.44499948597657e-10 ] [ 0.0 0.0 0.0 ] [ 1.427437802895404e-09 -1.549663692644016e-09 -4.491737441304947e-10 ] [ 8.879408703701694e-10 2.261314023839561e-09 -1.655279176357296e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.78191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.887670090589094e-18 } "relaxed-configuration-positions" { "source-value" [ [ 4.1186388 0.6771669 0.7815149 ] [ 1.4598623 2.5302865 5.8264237 ] [ 1.3515583 1.754 3.6401533 ] [ 3.5185361 1.4314089 2.8645652 ] [ 4.7393346 1.9604702 -1.0172896 ] [ 4.9657596 2.0139527 4.587228 ] [ 3.7013162 2.6915244 6.4137565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.1186388e-10 6.771669e-11 7.815149e-11 ] [ 1.4598623e-10 2.5302865e-10 5.826423700000001e-10 ] [ 1.3515583e-10 1.754e-10 3.6401533e-10 ] [ 3.5185361e-10 1.4314089e-10 2.8645652e-10 ] [ 4.7393346e-10 1.9604702e-10 -1.0172896e-10 ] [ 4.965759600000001e-10 2.0139527e-10 4.587228e-10 ] [ 3.7013162e-10 2.6915244e-10 6.4137565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 6.4e-06 -2.99e-05 ] [ 8.8e-06 7.2e-06 -2.14e-05 ] [ -9.4e-06 -3e-05 -4.24e-05 ] [ -2.45e-05 2.83e-05 3.03e-05 ] [ -7.3e-06 -1.51e-05 2.12e-05 ] [ 6.8e-06 2.3e-06 -1.1e-06 ] [ 2.56e-05 9e-07 4.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-16 1.02539304576e-14 -4.790508135659999e-14 ] [ 1.40991543792e-14 1.15356717648e-14 -3.42865799676e-14 ] [ -1.50604603596e-14 -4.806529901999999e-14 -6.79322892816e-14 ] [ -3.925332753299999e-14 4.53415987422e-14 4.854595201019999e-14 ] [ -1.16958894282e-14 -2.41928671734e-14 3.39661446408e-14 ] [ 1.08948011112e-14 3.685006258199999e-15 -1.7623942974e-15 ] [ 4.10157218304e-14 1.4419589706e-15 6.953446591559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.766524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846510962020022e-18 } }