{ "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" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.7792958 -61.1686303 -21.080282 ] [ -17.9178571 12.2440552 32.0105247 ] [ -15.2391858 10.6221691 -20.6013542 ] [ -4.9973734 12.3041064 -0.5329331 ] [ 18.0606467 9.8541445 -30.7317623 ] [ 35.8730653 16.1441551 40.935807 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.528121903173433e-08 -9.80029502004444e-08 -3.377433525853079e-08 ] [ -2.870757197697099e-08 1.961713914684619e-08 5.128651471641985e-08 ] [ -2.441586740994459e-08 1.701859113441681e-08 -3.300700832799776e-08 ] [ -8.006674892853134e-09 1.971335177632986e-08 -8.538529603051853e-10 ] [ 2.89363461376692e-08 1.578808006595961e-08 -4.92377114787021e-08 ] [ 5.74749870136162e-08 2.586578807689193e-08 6.558639346933362e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.7981741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.089187569688398e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7399326 -0.1954098 1.2413542 ] [ 0.2888705 1.0741532 2.6129562 ] [ 0.1953788 1.3045149 0.2599049 ] [ 1.0590781 3.0625145 1.5873547 ] [ 2.5101424 1.7929543 0.2157535 ] [ 2.6036343 1.562592 2.5688039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7399326e-10 -1.954098e-11 1.2413542e-10 ] [ 2.888705e-11 1.0741532e-10 2.6129562e-10 ] [ 1.953788e-11 1.3045149e-10 2.599049e-11 ] [ 1.0590781e-10 3.0625145e-10 1.5873547e-10 ] [ 2.5101424e-10 1.7929543e-10 2.157535e-11 ] [ 2.6036343e-10 1.562592e-10 2.5688039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 4.91e-05 6.1e-06 ] [ -1.37e-05 -1.05e-05 6.2e-06 ] [ -1.07e-05 -4.8e-06 -2.6e-06 ] [ 5.6e-06 -7.5e-06 -8e-07 ] [ 8.6e-06 -1.33e-05 -6.5e-06 ] [ 2.6e-06 -1.29e-05 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.23367600818e-14 7.866687272939998e-14 9.773277467399999e-15 ] [ -2.19498198858e-14 -1.6822854657e-14 9.9334951308e-15 ] [ -1.71432899838e-14 -7.690447843199998e-15 -4.165659248399999e-15 ] [ 8.972189150399999e-15 -1.2016324755e-14 -1.2817413072e-15 ] [ 1.37787190524e-14 -2.13089492322e-14 -1.0414148121e-14 ] [ 4.165659248399999e-15 -2.06680785786e-14 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.519951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.248964582702493e-18 } }