{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6640076 -2.6078604 -4.7903605 ] [ 1.872811 -0.0233395 -0.3176521 ] [ -2.6394303 -1.0377879 4.002513 ] [ -3.0558953 -0.692213 -1.6620604 ] [ 1.9094858 1.3872465 1.4382618 ] [ -0.3177202 -0.2739484 -0.6096228 ] [ 3.8947566 3.2479027 1.9389211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.666034095518418e-09 -4.178252997613892e-09 -7.675003661536557e-09 ] [ 3.000574024098174e-09 -3.7394001549243e-11 -5.089347723610313e-10 ] [ -4.22883355373161e-09 -1.662719524427929e-09 6.412732805881242e-09 ] [ -4.89608404561042e-09 -1.109047494351042e-09 -2.662914337176694e-09 ] [ 3.059333531714797e-09 2.222613927898281e-09 2.304349449534781e-09 ] [ -5.090438805898067e-10 -4.389137254016855e-10 -9.767234057136551e-10 ] [ 6.240088019637284e-09 5.203713815445511e-09 3.106494081589577e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.426429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.272674725985998e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.621482 2.7693925 1.6943176 ] [ 2.027344 0.5816117 3.0386711 ] [ 2.5727013 2.6962386 4.2311614 ] [ 4.283176 0.8707172 1.9303653 ] [ 5.0627512 2.1543752 3.8483215 ] [ 4.1150389 4.4219778 0.7546953 ] [ 4.1183006 4.3446987 3.1376267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.621482e-10 2.7693925e-10 1.6943176e-10 ] [ 2.027344e-10 5.816117e-11 3.0386711e-10 ] [ 2.5727013e-10 2.6962386e-10 4.231161400000001e-10 ] [ 4.283176e-10 8.707172e-11 1.9303653e-10 ] [ 5.0627512e-10 2.1543752e-10 3.8483215e-10 ] [ 4.1150389e-10 4.4219778e-10 7.546953e-11 ] [ 4.118300600000001e-10 4.3446987e-10 3.1376267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.21e-05 2.32e-05 2e-06 ] [ -6.41e-05 -1.86e-05 6e-06 ] [ 2.02e-05 -2.2e-05 4.53e-05 ] [ 5.51e-05 -2.83e-05 -1.91e-05 ] [ -3.88e-05 1.83e-05 -2.82e-05 ] [ 1.4e-06 -1.54e-05 1.8e-06 ] [ -6e-06 4.27e-05 -7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.14298699514e-14 3.71704979088e-14 3.204353268e-15 ] [ -1.026995222394e-13 -2.98004853924e-14 9.613059803999999e-15 ] [ 3.236396800679999e-14 -3.5247885948e-14 7.25786015202e-14 ] [ 8.827993253339999e-14 -4.53415987422e-14 -3.06015737094e-14 ] [ -6.21644533992e-14 2.93198324022e-14 -4.51813810788e-14 ] [ 2.2430472876e-15 -2.46735201636e-14 2.8839179412e-15 ] [ -9.613059803999999e-15 6.84129422718e-14 -1.21765424184e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.273055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.728754492279687e-18 } }