{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3348938 -0.406337 5.3891088 ] [ -4.910373 2.0696053 -4.2532229 ] [ -0.2293354 -2.027959 -2.185016 ] [ 2.7657214 -3.441632 1.7237632 ] [ -0.6578668 0.8193478 -1.7030205 ] [ 2.820928 -0.1104401 1.3415987 ] [ -0.1239681 3.097415 -0.3132113 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.365590212314692e-10 -6.51023646929658e-10 8.634304197443778e-09 ] [ -7.86728488482448e-09 3.31587325326256e-09 -6.814414349573718e-09 ] [ -3.674358192290435e-10 -3.249148524510006e-09 -3.500781580116144e-09 ] [ 4.431174203233767e-09 -5.514102373226687e-09 2.761773121589068e-09 ] [ -1.054018815244351e-09 1.312739900279305e-09 -2.728539652322997e-09 ] [ 4.519624927796352e-09 -1.769445476766234e-10 2.149478089344776e-09 ] [ -1.986187931813754e-10 4.962605938801109e-09 -5.018198263647641e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.8098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.654532858621319e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.155379 2.3592338 1.7566206 ] [ 2.9688475 1.3177205 3.8961828 ] [ 1.2381228 4.7570449 1.7608562 ] [ 2.0934399 3.6750436 3.926173 ] [ 4.6161912 1.9511107 2.0760475 ] [ 3.7426212 4.3091413 2.104011 ] [ 4.5543234 3.2654582 4.2431849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.155379e-10 2.3592338e-10 1.7566206e-10 ] [ 2.9688475e-10 1.3177205e-10 3.8961828e-10 ] [ 1.2381228e-10 4.757044900000001e-10 1.7608562e-10 ] [ 2.0934399e-10 3.6750436e-10 3.926173e-10 ] [ 4.616191200000001e-10 1.9511107e-10 2.0760475e-10 ] [ 3.7426212e-10 4.309141300000001e-10 2.104011e-10 ] [ 4.5543234e-10 3.2654582e-10 4.2431849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -7.9e-06 -5.5e-06 ] [ -9.4e-06 1.36e-05 9.6e-06 ] [ 6.5e-06 6e-06 1.28e-05 ] [ 1.6e-06 -2.4e-06 -9.4e-06 ] [ 2.06e-05 1.76e-05 -9.1e-06 ] [ -8.3e-06 -2.08e-05 -6e-06 ] [ -1.7e-06 -6.1e-06 7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.49002426962e-14 -1.26571954086e-14 -8.811971486999999e-15 ] [ -1.50604603596e-14 2.17896022224e-14 1.53808956864e-14 ] [ 1.0414148121e-14 9.613059803999999e-15 2.05078609152e-14 ] [ 2.5634826144e-15 -3.845223921599999e-15 -1.50604603596e-14 ] [ 3.300483866039999e-14 2.81983087584e-14 -1.45798073694e-14 ] [ -1.32980660622e-14 -3.332527398719999e-14 -9.613059803999999e-15 ] [ -2.7237002778e-15 -9.773277467399999e-15 1.18561070916e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682677979968e-18 } }