{ "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" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.6546002 -18.1899126 -20.3452392 ] [ 15.7664016 -39.5076084 29.9237786 ] [ -8.814239 28.2862048 -16.5472175 ] [ -35.234722 40.485043 19.747496 ] [ 35.1937465 -4.2897764 -27.7163797 ] [ 6.7434131 -6.7839504 14.9375619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.187708120681101e-08 -2.914345270211534e-08 -3.25966665908237e-08 ] [ 2.526056003766372e-08 -6.32981665222017e-08 4.794317847891535e-08 ] [ -1.412196765594357e-08 4.531949602172074e-08 -2.651156501779262e-08 ] [ -5.645224782878741e-08 6.486418938668269e-08 3.163897641054152e-08 ] [ 5.638659784066184e-08 -6.87297945653959e-09 -4.440653556855572e-08 ] [ 1.080413881321645e-08 -1.086908672754681e-08 2.393261244793283e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.48793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.122310583378694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1319318 1.4526294 0.289071 ] [ 0.9017123 1.0881709 2.6298616 ] [ 0.3800477 3.2670362 -0.8985503 ] [ -0.1159964 2.4819473 4.1429731 ] [ 3.3665104 0.6383166 0.3821365 ] [ 3.1363218 0.2739339 2.7229411 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1319318e-10 1.4526294e-10 2.89071e-11 ] [ 9.017123000000001e-11 1.0881709e-10 2.6298616e-10 ] [ 3.800477e-11 3.2670362e-10 -8.985503e-11 ] [ -1.159964e-11 2.4819473e-10 4.1429731e-10 ] [ 3.3665104e-10 6.383166e-11 3.821365e-11 ] [ 3.1363218e-10 2.739339e-11 2.7229411e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.85e-05 1.9e-06 3.75e-05 ] [ -1.6e-05 -2.24e-05 -5.9e-06 ] [ 8.8e-06 -5.1e-06 -1.22e-05 ] [ 2.58e-05 9.9e-06 -9e-06 ] [ 5.19e-05 1.89e-05 7.6e-06 ] [ -2.21e-05 -3.2e-06 -1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.77055661088e-14 3.04413557952e-15 6.008162327999999e-14 ] [ -2.56348259328e-14 -3.588875630592e-14 -9.45284206272e-15 ] [ 1.409915426304e-14 -8.17110076608e-15 -1.954655477376e-14 ] [ 4.133615681664e-14 1.586154854592e-14 -1.44195895872e-14 ] [ 8.315296661952001e-14 3.028113813312e-14 1.217654231808e-14 ] [ -3.540810331968e-14 -5.126965186560001e-15 -2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.969384 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.238142045177759e-18 } }