{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7696796 -5.4202766 -3.448527 ] [ -1.3047755 -3.1382702 6.411551 ] [ -2.9170351 5.4442584 -4.2853147 ] [ 1.7852524 3.6742168 2.8513563 ] [ 1.7950425 -1.145788 -2.5495654 ] [ -1.2830216 -3.510854 1.7712916 ] [ 2.6942169 4.0967136 -0.7507918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233162660626696e-09 -8.684240446789313e-09 -5.525149335597562e-09 ] [ -2.090480801492631e-09 -5.02806314419334e-09 1.027243711526686e-08 ] [ -4.67360543927299e-09 8.722663526074015e-09 -6.865831025110565e-09 ] [ 2.86028965750709e-09 5.88674425671059e-09 4.568376401430792e-09 ] [ 2.875975126842384e-09 -1.835754745993191e-09 -4.0848540770806e-09 ] [ -2.055627211501409e-09 -5.625008197842164e-09 2.837921990139425e-09 ] [ 4.316611328544251e-09 6.563658752033404e-09 -1.202901069048349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.8975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.1879309312368e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.443236 1.4629011 2.1617978 ] [ 2.7202001 2.6727037 4.341916 ] [ 2.2527407 4.0382192 2.2686212 ] [ 4.513378 2.9328243 2.0560252 ] [ 5.2168666 2.8864049 4.4387557 ] [ 4.9728708 5.2796578 1.9693706 ] [ 3.7684638 4.950311 4.0086695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.443236000000001e-10 1.4629011e-10 2.1617978e-10 ] [ 2.7202001e-10 2.6727037e-10 4.341916000000001e-10 ] [ 2.2527407e-10 4.0382192e-10 2.2686212e-10 ] [ 4.513378e-10 2.9328243e-10 2.0560252e-10 ] [ 5.216866600000001e-10 2.8864049e-10 4.4387557e-10 ] [ 4.9728708e-10 5.2796578e-10 1.9693706e-10 ] [ 3.768463800000001e-10 4.950311e-10 4.0086695e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.7e-06 -3.55e-05 8.1e-06 ] [ -0.0001116 -1.31e-05 0.0001071 ] [ 1.03e-05 6.79e-05 -7.63e-05 ] [ 0.0001185 -3.12e-05 -0.0001367 ] [ 4.87e-05 -0.0001173 0.0001055 ] [ -0.000106 6.27e-05 -9.06e-05 ] [ 3.15e-05 6.64e-05 8.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.393893660096e-14 -5.68772700384e-14 1.297763062848e-14 ] [ -1.7880291088128e-13 -2.098851373248e-14 1.7159311608768e-13 ] [ 1.650241919424e-14 1.0878779255232e-13 -1.2224607616704e-13 ] [ 1.898579295648e-13 -4.998791056896e-14 -2.1901754406336e-13 ] [ 7.802600143296e-14 -1.8793531761984e-13 1.690296334944e-13 ] [ -1.698307218048e-13 1.0045647412416e-13 -1.4515720184448e-13 ] [ 5.04685635552e-14 1.0638452762112e-13 1.3282044186432e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.890225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.827635996065168e-18 } }