{ "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" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0188198 0.4526017 0.1428404 ] [ 0.7901566 1.1234617 0.1420709 ] [ -2.1152314 -0.173111 -0.1423601 ] [ 0.8665021 -0.8596455 0.1216139 ] [ -1.4040428 -0.0579138 1.1259632 ] [ 1.8437958 -0.485393 -1.3901283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.015264356813184e-11 7.251478622743354e-10 2.288555493857203e-10 ] [ 1.265970431290817e-09 1.799984070104223e-09 2.276226744760147e-10 ] [ -3.388974296662053e-09 -2.773543970033088e-10 -2.280860239547501e-10 ] [ 1.388289406494104e-09 -1.377303922275926e-09 1.948469473443091e-10 ] [ -2.24952454876257e-09 -9.278813638168706e-11 1.803991914921154e-09 ] [ 2.954086524289233e-09 -7.776853164999744e-10 -2.227231062172449e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.145618279081937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.244189306306209e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.26891 1.5826805 1.0444956 ] [ 2.9881263 0.4396644 2.3190615 ] [ 1.6151754 2.1345619 3.381634 ] [ 2.2380956 3.7214611 1.6552488 ] [ 3.6110205 2.0265706 0.5926676 ] [ 3.9572982 2.5784354 2.9298155 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26891e-10 1.5826805e-10 1.0444956e-10 ] [ 2.9881263e-10 4.396644e-11 2.3190615e-10 ] [ 1.6151754e-10 2.1345619e-10 3.381634e-10 ] [ 2.2380956e-10 3.7214611e-10 1.6552488e-10 ] [ 3.6110205e-10 2.0265706e-10 5.926676e-11 ] [ 3.9572982e-10 2.5784354e-10 2.9298155e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.72e-05 -0.0 6.9e-06 ] [ -3.78e-05 -7.7e-06 1.3e-06 ] [ 2.14e-05 -3e-05 6e-07 ] [ -4.48e-05 4.65e-05 -5.1e-06 ] [ 5.49e-05 -2.66e-05 -1.76e-05 ] [ 2.34e-05 1.78e-05 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.755743787776e-14 0.0 1.105501868352e-14 ] [ -6.056227626623999e-14 -1.233675998016e-14 2.08282960704e-15 ] [ 3.428657968511999e-14 -4.8065298624e-14 9.6130597248e-16 ] [ -7.177751261183999e-14 7.45012128672e-14 -8.17110076608e-15 ] [ 8.795949648192e-14 -4.261789811328e-14 -2.819830852608e-14 ] [ 3.749093292672001e-14 2.851874385024e-14 2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.737433279081937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.079455808394496e-18 } }