{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.0043719 -24.8719722 -33.1661474 ] [ -30.2866076 -35.3743438 10.0791483 ] [ -35.3651743 31.3976987 21.5259755 ] [ 29.1335154 7.3597934 -50.8772659 ] [ 34.570346 -36.6692643 30.7284686 ] [ 20.9522925 58.1580881 21.709821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.044836035116848e-08 -3.984929237202754e-08 -5.31380259662867e-08 ] [ -4.85244946200636e-08 -5.667594661250143e-08 1.614857576383607e-08 ] [ -5.666125545397701e-08 5.030465880406255e-08 3.44884146860136e-08 ] [ 4.667703725559676e-08 1.179168891939814e-08 -8.151436595520507e-08 ] [ 5.53878001341668e-08 -5.875063796339608e-08 4.92324339839069e-08 ] [ 3.356927319566318e-08 9.31795290642467e-08 3.478296764795288e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.477387 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.286280622647386e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7765159 -0.0313939 0.0544792 ] [ 0.4116686 -0.1783128 2.404597 ] [ 0.0557863 2.120617 2.9203464 ] [ 2.8176376 1.1600812 0.3837729 ] [ 2.7790822 0.097857 2.7926097 ] [ 2.3165534 2.6561925 2.3760184 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.765159000000001e-11 -3.13939e-12 5.44792e-12 ] [ 4.116686e-11 -1.783128e-11 2.404597e-10 ] [ 5.57863e-12 2.120617e-10 2.9203464e-10 ] [ 2.8176376e-10 1.1600812e-10 3.837729e-11 ] [ 2.7790822e-10 9.7857e-12 2.7926097e-10 ] [ 2.3165534e-10 2.6561925e-10 2.3760184e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-05 4e-07 -1.4e-06 ] [ 2.77e-05 -2.75e-05 2.85e-05 ] [ -3.7e-05 3.21e-05 -1.11e-05 ] [ -2.46e-05 1e-05 -2.92e-05 ] [ -2.75e-05 -1.86e-05 -6.1e-06 ] [ 3.43e-05 3.7e-06 1.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.32587687616e-14 6.408706483200001e-16 -2.24304726912e-15 ] [ 4.438029239616e-14 -4.4059857072e-14 4.56620336928e-14 ] [ -5.92805349696e-14 5.142986952768e-14 -1.778416049088e-14 ] [ -3.941354487168e-14 1.6021766208e-14 -4.678355732736e-14 ] [ -4.4059857072e-14 -2.980048514688e-14 -9.77327738688e-15 ] [ 5.495465809344e-14 5.928053496960001e-15 3.092200878144e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.165535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.269568899812413e-18 } }