{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.298475 -2.2963237 -1.5158062 ] [ -3.6735687 0.708537 2.2598019 ] [ -5.1874805 1.2800146 2.0773416 ] [ -2.3828519 -6.8745785 -3.263313 ] [ 1.4057026 1.2164845 3.1360843 ] [ 6.2105518 5.2705221 -4.0793556 ] [ 4.9261217 0.6953439 1.385247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08038630483315e-09 -3.679116176240425e-09 -2.428589275312331e-09 ] [ -5.885705934533755e-09 1.135201425724458e-09 3.620601801648804e-09 ] [ -8.311260046430636e-09 2.050809483298856e-09 3.328268172356174e-09 ] [ -3.817749636462504e-09 -1.101428904129877e-08 -5.228403838028442e-09 ] [ 2.252183860073048e-09 1.949023041523173e-09 5.024560987714246e-09 ] [ 9.950400978206642e-09 8.444307357600611e-09 -6.535848224097051e-09 ] [ 7.892517083980357e-09 1.114063749174433e-09 2.219410375718597e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.407121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.987839936141071e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.507945 0.6405111 3.735156 ] [ 1.5318208 3.0722467 3.8488705 ] [ 1.7796108 5.2816989 2.990952 ] [ 3.285358 2.3040751 1.9812315 ] [ 3.6802964 2.4106724 5.106344 ] [ 3.8289831 4.8040278 1.9182069 ] [ 5.1604709 3.3127428 3.4255611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.507945e-10 6.405111000000001e-11 3.735156e-10 ] [ 1.5318208e-10 3.0722467e-10 3.8488705e-10 ] [ 1.7796108e-10 5.281698900000001e-10 2.990952e-10 ] [ 3.285358e-10 2.3040751e-10 1.9812315e-10 ] [ 3.6802964e-10 2.4106724e-10 5.106344e-10 ] [ 3.8289831e-10 4.8040278e-10 1.9182069e-10 ] [ 5.160470900000001e-10 3.3127428e-10 3.4255611e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.24e-05 -5.5e-06 1e-06 ] [ 1.65e-05 1.48e-05 -2e-07 ] [ 3.07e-05 5.5e-06 -1.54e-05 ] [ 8.7e-06 3.21e-05 2.06e-05 ] [ -1.44e-05 1.15e-05 -3.99e-05 ] [ -3.48e-05 -4.29e-05 3.85e-05 ] [ -3.92e-05 -1.55e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.19105229416e-14 -8.811971486999999e-15 1.602176634e-15 ] [ 2.6435914461e-14 2.37122141832e-14 -3.204353268e-16 ] [ 4.91868226638e-14 8.811971486999999e-15 -2.46735201636e-14 ] [ 1.39389367158e-14 5.14298699514e-14 3.300483866039999e-14 ] [ -2.30713435296e-14 1.8425031291e-14 -6.392684769659999e-14 ] [ -5.575574686319999e-14 -6.873337759859999e-14 6.168380040899999e-14 ] [ -6.280532405279998e-14 -2.4833737827e-14 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.187114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753679245669427e-18 } }