{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1151029 -2.2031994 -4.0245449 ] [ 0.3301705 -0.1130783 -1.0783816 ] [ -3.2432596 -1.6728993 1.5307843 ] [ -1.0651837 0.7855607 -0.3299513 ] [ 4.6131979 -2.2594659 2.2109621 ] [ 1.2067031 2.9926564 -0.7064397 ] [ 0.2734747 2.4704258 2.3975711 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.38876841696628e-09 -3.529914569640587e-09 -6.448031748139875e-09 ] [ 5.289914559778463e-10 -1.811714085798086e-10 -1.727757787820897e-09 ] [ -5.19627470630516e-09 -2.680280147412686e-09 2.452586816947694e-09 ] [ -1.706612420997241e-09 1.258606987759283e-09 -5.286402588625671e-10 ] [ 7.391157822503657e-09 -3.620063440474831e-09 3.542351786094872e-09 ] [ 1.933351495066884e-09 4.794764118167494e-09 -1.131841171344966e-09 ] [ 4.381547707202938e-10 3.958058460181137e-09 3.841332363125739e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.265157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.567271400384147e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2766191 1.7440101 1.5773435 ] [ 1.3767269 3.0193545 4.6213136 ] [ 1.9626079 0.8916712 3.7955916 ] [ 1.1831931 3.7203188 2.3800446 ] [ 4.1540533 1.6402503 3.1768001 ] [ 3.563441 3.7836969 2.10412 ] [ 3.6607836 3.583409 4.4907744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2766191e-10 1.7440101e-10 1.5773435e-10 ] [ 1.3767269e-10 3.0193545e-10 4.6213136e-10 ] [ 1.9626079e-10 8.916712e-11 3.7955916e-10 ] [ 1.1831931e-10 3.7203188e-10 2.3800446e-10 ] [ 4.1540533e-10 1.6402503e-10 3.1768001e-10 ] [ 3.563441e-10 3.7836969e-10 2.10412e-10 ] [ 3.6607836e-10 3.583409e-10 4.4907744e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.71e-05 -3.29e-05 2.2e-06 ] [ 3.72e-05 -1.51e-05 -1e-05 ] [ 6e-06 2e-05 -6e-06 ] [ 1.94e-05 7.3e-06 -2.26e-05 ] [ -2.92e-05 4.5e-05 -6.5e-06 ] [ -1.25e-05 -1.35e-05 5.11e-05 ] [ -3.8e-06 -1.08e-05 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.739722021568e-14 -5.271161082432e-14 3.52478856576e-15 ] [ 5.960097029376001e-14 -2.419286697408e-14 -1.6021766208e-14 ] [ 9.6130597248e-15 3.2043532416e-14 -9.6130597248e-15 ] [ 3.108222644352e-14 1.169588933184e-14 -3.620919163008e-14 ] [ -4.678355732736e-14 7.209794793600001e-14 -1.04141480352e-14 ] [ -2.002720776e-14 -2.16293843808e-14 8.187122532288001e-14 ] [ -6.08827115904e-15 -1.730350750464e-14 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }