{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1966766 -3.5062407 -0.8108654 ] [ 0.8043801 -5.9386454 7.565169 ] [ -10.4931916 2.7003521 6.9889925 ] [ -1.906541 8.9039818 -7.4050348 ] [ 2.6444914 -7.3331115 -16.3692824 ] [ 13.9402448 -14.7337928 11.2211881 ] [ -2.792707 19.9074564 -1.190167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.519463920974564e-09 -5.617616922719804e-09 -1.299149597199063e-09 ] [ 1.288759001074583e-09 -9.514758897491583e-09 1.212073700406114e-08 ] [ -1.681194639760507e-08 4.326441038192831e-09 1.119760047870124e-08 ] [ -3.054615441962994e-09 1.426575158952126e-08 -1.186417373051686e-08 ] [ 4.236942329893947e-09 -1.174893989981669e-08 -2.622648177662744e-08 ] [ 2.23347344908e-08 -2.360613855435743e-08 1.797832537953886e-08 ] [ -4.474409901008237e-09 3.189526148645376e-08 -1.906857757957878e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.529729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.167701566815218e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9982269 1.4401395 2.2522565 ] [ 1.2255356 1.4298026 4.7305097 ] [ 2.4188163 3.5788572 5.5070749 ] [ 0.9814698 3.674944 3.1611518 ] [ 4.3013489 2.4394493 2.2663009 ] [ 4.8112776 2.9855849 4.7523816 ] [ 3.3545579 4.7045995 3.1756457 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9982269e-10 1.4401395e-10 2.2522565e-10 ] [ 1.2255356e-10 1.4298026e-10 4.7305097e-10 ] [ 2.4188163e-10 3.5788572e-10 5.5070749e-10 ] [ 9.814697999999999e-11 3.674944e-10 3.1611518e-10 ] [ 4.3013489e-10 2.4394493e-10 2.2663009e-10 ] [ 4.8112776e-10 2.9855849e-10 4.7523816e-10 ] [ 3.3545579e-10 4.704599499999999e-10 3.1756457e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.34e-05 2.05e-05 7.5e-06 ] [ 0.0 -1.16e-05 4.8e-06 ] [ -2.42e-05 -3.4e-06 2.83e-05 ] [ -9.5e-06 -1.4e-05 -1.27e-05 ] [ 1.38e-05 1.42e-05 -3.2e-06 ] [ 2.42e-05 -4.3e-06 7.3e-06 ] [ 1.9e-05 -1.4e-06 -3.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749093323559999e-14 3.2844620997e-14 1.2016324755e-14 ] [ 0.0 -1.85852489544e-14 7.690447843199998e-15 ] [ -3.877267454279999e-14 -5.4474005556e-15 4.53415987422e-14 ] [ -1.5220678023e-14 -2.243047287599999e-14 -2.03476432518e-14 ] [ 2.21100375492e-14 2.27509082028e-14 -5.1269652288e-15 ] [ 3.877267454279999e-14 -6.8893595262e-15 1.16958894282e-14 ] [ 3.0441356046e-14 -2.2430472876e-15 -5.11094346246e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.737843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.803221739616046e-18 } }