{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5436986 -3.190906 -9.9491632 ] [ -7.3002594 -4.7926472 15.0459318 ] [ 9.1749269 -11.2454869 -7.0167274 ] [ -2.6243726 15.5079994 -1.9972375 ] [ 12.2934036 3.7210406 3.9171963 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.849504401448169e-08 -5.112394992370445e-09 -1.594031667556371e-08 ] [ -1.169630493645544e-08 -7.678667295582583e-09 2.410624016811126e-08 ] [ 1.469985337672902e-08 -1.801725620069267e-08 -1.124203659480677e-08 ] [ -4.20470842398811e-09 2.484655407406043e-08 -3.19992722868504e-09 ] [ 1.969620383797855e-08 5.961764254367604e-09 6.276040330944263e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 77.176499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.236503823729946e-17 } "relaxed-configuration-positions" { "source-value" [ [ -3.6225835 0.569254 -3.018613 ] [ -0.164283 0.4285144 6.6052725 ] [ 5.5936128 -2.9597811 -1.4037959 ] [ 0.8367084 8.7290819 0.659964 ] [ 9.1355115 4.4745238 4.2694802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.6225835e-10 5.69254e-11 -3.018613e-10 ] [ -1.64283e-11 4.285144e-11 6.6052725e-10 ] [ 5.5936128e-10 -2.9597811e-10 -1.4037959e-10 ] [ 8.367084e-11 8.729081900000001e-10 6.599640000000001e-11 ] [ 9.1355115e-10 4.4745238e-10 4.2694802e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }