{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.46805 -5.8499587 -1.1785409 ] [ -5.864294 3.7521071 -3.9376835 ] [ -0.7363466 -1.1822493 7.19488 ] [ -0.4819128 3.850671 0.9910225 ] [ 2.358141 -1.2503915 -0.3739726 ] [ 1.0461123 1.3494141 -2.896 ] [ -0.78975 -0.6695927 0.2002946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.15860525056544e-09 -9.372667061785563e-09 -1.888230676636591e-09 ] [ -9.395634744297715e-09 6.011538274357688e-09 -6.308864443809917e-09 ] [ -1.179757307325569e-09 -1.894172188417165e-09 1.152746852546151e-08 ] [ -7.721094214242663e-10 6.169455050592557e-09 1.587793080186768e-09 ] [ 3.778158378749933e-09 -2.003348028147043e-09 -5.991701565397901e-10 ] [ 1.676056669791316e-09 2.161999722797873e-09 -4.6399034938368e-09 ] [ -1.2653189862768e-09 -1.072805769398348e-09 3.209073253924876e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7655109 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.404389663334757e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5358797 0.8070509 2.5992368 ] [ 1.5198612 3.7725193 2.1053366 ] [ 1.9789481 2.1082478 3.6835947 ] [ 2.5691088 5.2944839 3.4754559 ] [ 4.8263534 2.6963096 2.3544604 ] [ 3.3835023 3.5547966 0.8214714 ] [ 3.8420696 3.5608869 4.2922808 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5358797e-10 8.070509000000001e-11 2.5992368e-10 ] [ 1.5198612e-10 3.7725193e-10 2.1053366e-10 ] [ 1.9789481e-10 2.1082478e-10 3.6835947e-10 ] [ 2.5691088e-10 5.2944839e-10 3.4754559e-10 ] [ 4.8263534e-10 2.6963096e-10 2.3544604e-10 ] [ 3.3835023e-10 3.5547966e-10 8.214714e-11 ] [ 3.8420696e-10 3.5608869e-10 4.292280800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.43e-05 1.65e-05 -2.95e-05 ] [ -3.52e-05 -1.3e-06 6.9e-06 ] [ -4.16e-05 -3.46e-05 4.46e-05 ] [ 2.78e-05 2.61e-05 -2.49e-05 ] [ 1.96e-05 1.17e-05 -6.5e-06 ] [ 1.7e-05 -8.3e-06 -5.02e-05 ] [ -1.9e-06 -1.02e-05 5.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.291112567744e-14 2.64359142432e-14 -4.72642103136e-14 ] [ -5.639661705216e-14 -2.08282960704e-15 1.105501868352e-14 ] [ -6.665054742528e-14 -5.543531107968001e-14 7.145707728768e-14 ] [ 4.454051005824e-14 4.181680980288e-14 -3.989419785791999e-14 ] [ 3.140266176767999e-14 1.874546646336e-14 -1.04141480352e-14 ] [ 2.72370025536e-14 -1.329806595264e-14 -8.042926636416e-14 ] [ -3.04413557952e-15 -1.634220153216e-14 9.548972659968001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }