{ "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" [ [ -1.6640081 -2.6078596 -4.7903606 ] [ 1.8728111 -0.0233395 -0.3176522 ] [ -2.6394303 -1.0377878 4.002513 ] [ -3.0558948 -0.6922136 -1.6620603 ] [ 1.9094857 1.3872465 1.4382617 ] [ -0.3177203 -0.2739485 -0.6096227 ] [ 3.8947567 3.2479026 1.9389211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.666034874641829e-09 -4.17825168144884e-09 -7.67500375852146e-09 ] [ 3.000574159594731e-09 -3.73940012411616e-11 -5.089349283856858e-10 ] [ -4.22883351889113e-09 -1.662719350511466e-09 6.412732753048071e-09 ] [ -4.896083204184291e-09 -1.109048446519803e-09 -2.662914155019834e-09 ] [ 3.059333346291922e-09 2.222613909586628e-09 2.304349270332063e-09 ] [ -5.090440366135622e-10 -4.389138820032288e-10 -9.767232374489722e-10 ] [ 6.240088128444159e-09 5.203713612355535e-09 3.106494055995819e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.426429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.272674699023112e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6214822 2.7693924 1.6943177 ] [ 2.0273439 0.5816119 3.0386711 ] [ 2.5727015 2.6962384 4.2311614 ] [ 4.283176 0.8707172 1.9303653 ] [ 5.062751 2.1543752 3.8483213 ] [ 4.1150389 4.4219778 0.7546952 ] [ 4.1183006 4.3446988 3.1376267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6214822e-10 2.7693924e-10 1.6943177e-10 ] [ 2.0273439e-10 5.816119e-11 3.0386711e-10 ] [ 2.5727015e-10 2.6962384e-10 4.231161400000001e-10 ] [ 4.283176e-10 8.707172e-11 1.9303653e-10 ] [ 5.062751e-10 2.1543752e-10 3.8483213e-10 ] [ 4.1150389e-10 4.4219778e-10 7.546952e-11 ] [ 4.118300600000001e-10 4.3446988e-10 3.1376267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.95e-05 2.77e-05 -4e-06 ] [ -6.74e-05 -2.51e-05 6.8e-06 ] [ 1.62e-05 -1.84e-05 5.15e-05 ] [ 5.82e-05 -3.19e-05 -2.18e-05 ] [ -3.3e-05 1.73e-05 -2.6e-05 ] [ 1.7e-06 -1.5e-05 1.8e-06 ] [ -5.2e-06 4.55e-05 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.72642103136e-14 4.438029239616e-14 -6.4087064832e-15 ] [ -1.0798670424192e-13 -4.021463318208e-14 1.089480102144e-14 ] [ 2.595526125696e-14 -2.948004982272e-14 8.25120959712e-14 ] [ 9.324667933055999e-14 -5.110943420352001e-14 -3.492745033344e-14 ] [ -5.28718284864e-14 2.771765553984e-14 -4.16565921408e-14 ] [ 2.72370025536e-15 -2.4032649312e-14 2.88391791744e-15 ] [ -8.33131842816e-15 7.28990362464e-14 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.273055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.728754461559255e-18 } }