{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5746442 -1.9005597 -6.4256936 ] [ -1.2570805 0.149745 2.0990423 ] [ -0.375089 -1.6025775 0.8514849 ] [ -1.0257058 3.1985712 0.6131024 ] [ 6.2325196 0.1548211 2.8620639 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.727211364918319e-09 -3.045032317774662e-09 -1.029509605834419e-08 ] [ -2.014064987563574e-09 2.39917938081696e-10 3.36303649913026e-09 ] [ -6.009588265192513e-10 -2.567612203520112e-09 1.364229199744226e-09 ] [ -1.643361852578961e-09 5.124675996604201e-09 9.8229833143637e-10 ] [ 9.985597191797768e-09 2.480507468265389e-10 4.585531867815669e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8351034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.575757273063059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3658612 2.4833377 -0.2092329 ] [ 1.9829122 2.9326252 3.2286238 ] [ 2.3037874 0.9852986 1.749241 ] [ 2.0448152 4.430642 1.2701306 ] [ 4.133741 2.8824263 1.7051576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3658612e-10 2.4833377e-10 -2.092329e-11 ] [ 1.9829122e-10 2.9326252e-10 3.2286238e-10 ] [ 2.3037874e-10 9.852986e-11 1.749241e-10 ] [ 2.0448152e-10 4.430642e-10 1.2701306e-10 ] [ 4.133741e-10 2.8824263e-10 1.7051576e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -4e-07 3e-06 ] [ -1.36e-05 -1.48e-05 -6.7e-06 ] [ 1.44e-05 -1.74e-05 1.38e-05 ] [ 2.39e-05 2.45e-05 -3.5e-06 ] [ -1.34e-05 8.2e-06 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -6.408706483200001e-16 4.8065298624e-15 ] [ -2.178960204288e-14 -2.371221398784e-14 -1.073458335936e-14 ] [ 2.307134333952e-14 -2.787787320192e-14 2.211003736704e-14 ] [ 3.829202123712e-14 3.92533272096e-14 -5.6076181728e-15 ] [ -2.146916671872e-14 1.313784829056e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }