{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.350826 0.4418416 2.50309 ] [ 1.033244 1.643774 1.864586 ] [ 1.591632 0.5864069 0.4139953 ] [ 2.819906 0.5589855 2.733529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.350826e-10 4.418416e-11 2.50309e-10 ] [ 1.033244e-10 1.643774e-10 1.864586e-10 ] [ 1.591632e-10 5.864069e-11 4.139953e-11 ] [ 2.819906e-10 5.589855000000001e-11 2.733529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -41.0716156 -74.5651223 34.5864846 ] [ -27.6965089 82.0730036 -24.6918837 ] [ 5.2903659 -9.7747661 -22.7589855 ] [ 63.4777586 2.2668847 12.8643845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.580398229280457e-08 -1.194664956761527e-07 5.541365702177924e-08 ] [ -4.437469903735913e-08 1.314954475667543e-07 -3.956075878765261e-08 ] [ 8.47610056045755e-09 -1.566090171920839e-08 -3.646391448122621e-08 ] [ 1.017025807697061e-07 3.631949668389222e-09 2.06110160868819e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 40.566176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.499417878245807e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5673968 0.2662982 2.4555637 ] [ 0.4491782 2.3062189 1.539104 ] [ 1.1834532 0.4824182 -0.0056268 ] [ 3.5955798 0.1760726 3.5261593 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5673968e-10 2.662982e-11 2.4555637e-10 ] [ 4.491782000000001e-11 2.3062189e-10 1.539104e-10 ] [ 1.1834532e-10 4.824182e-11 -5.626800000000001e-13 ] [ 3.5955798e-10 1.760726e-11 3.5261593e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 -1.17e-05 1.1e-05 ] [ -2.2e-06 3.9e-06 -9.7e-06 ] [ -1.38e-05 8.2e-06 -1.4e-05 ] [ 5.5e-06 -3e-07 1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68228545184e-14 -1.874546646336e-14 1.76239428288e-14 ] [ -3.52478856576e-15 6.24848882112e-15 -1.554111322176e-14 ] [ -2.211003736704e-14 1.313784829056e-14 -2.24304726912e-14 ] [ 8.8119714144e-15 -4.8065298624e-16 2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.474651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.197571108083934e-18 } }