{ "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" [ [ 2.096068 2.7039 2.040826 ] [ 2.700744 4.841018 2.002574 ] [ 4.164753 1.488214 0.9121723 ] [ 3.472077 2.802445 4.029704 ] [ 4.572692 3.360808 2.141211 ] [ 3.154153 3.397307 0.264031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.096068e-10 2.7039e-10 2.040826e-10 ] [ 2.700744e-10 4.841018000000001e-10 2.002574e-10 ] [ 4.164753e-10 1.488214e-10 9.121723000000001e-11 ] [ 3.472077e-10 2.802445e-10 4.029704e-10 ] [ 4.572692e-10 3.360808e-10 2.141211e-10 ] [ 3.154153e-10 3.397307e-10 2.64031e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -38.3705817 -14.2249791 9.6149484 ] [ -9.4494887 28.700868 0.9523137 ] [ 10.6251484 -18.4327056 -7.0759817 ] [ 2.5326863 -6.7200438 15.4141372 ] [ 39.0534304 5.9739232 12.678444 ] [ -4.3911946 4.7029373 -31.5838617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.147644892623632e-08 -2.279092894538863e-08 1.540484553667837e-08 ] [ -1.513974987365378e-08 4.598385970626685e-08 1.525774745807545e-09 ] [ 1.702336435901053e-08 -2.953244997040924e-08 -1.133697244894864e-08 ] [ 4.057810777680455e-09 -1.076669706711199e-08 2.469617025164358e-08 ] [ 6.257049314892e-08 9.571280085494723e-09 2.031310656492204e-08 ] [ -7.035469325503209e-09 7.534936191148276e-09 -5.060292481032055e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.776043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.48890669881355e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3829887 3.3232268 3.1678251 ] [ 2.7386999 4.524844 1.564505 ] [ 4.9275614 2.0548092 0.4759677 ] [ 3.3074715 2.1920205 4.0767849 ] [ 4.8007167 3.3128277 2.5384342 ] [ 3.0030487 3.1859638 -0.4329987 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3829887e-10 3.3232268e-10 3.1678251e-10 ] [ 2.7386999e-10 4.524844e-10 1.564505e-10 ] [ 4.9275614e-10 2.0548092e-10 4.759677e-11 ] [ 3.3074715e-10 2.1920205e-10 4.0767849e-10 ] [ 4.8007167e-10 3.3128277e-10 2.5384342e-10 ] [ 3.0030487e-10 3.1859638e-10 -4.329987e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.17e-05 -2.03e-05 -3.8e-06 ] [ -2.04e-05 9.4e-06 -2.13e-05 ] [ -2.32e-05 -2.46e-05 -1.47e-05 ] [ 2.89e-05 3.12e-05 -3.34e-05 ] [ 5.6e-06 -1.28e-05 3.88e-05 ] [ 2.08e-05 1.72e-05 3.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.874546646336e-14 -3.252418540224e-14 -6.08827115904e-15 ] [ -3.268440306432e-14 1.506046023552e-14 -3.412636202304e-14 ] [ -3.717049760256e-14 -3.941354487168e-14 -2.355199632576e-14 ] [ 4.630290434112001e-14 4.998791056896e-14 -5.351269913472e-14 ] [ 8.972189076479999e-15 -2.050786074624e-14 6.216445288704e-14 ] [ 3.332527371264e-14 2.755743787776e-14 5.511487575552001e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.100632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.098952630810435e-18 } }