{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2542683 3.6134729 -1.6152923 ] [ 4.2216992 0.1282311 -2.9780153 ] [ -1.1090636 -1.8906709 -1.196849 ] [ -0.7701151 -0.7964486 0.8728161 ] [ 0.8775712 0.0054423 2.81988 ] [ -1.8104845 -1.4729002 3.2654169 ] [ -3.6638754 0.4128733 -1.1679563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.611735967270561e-09 5.789421800274377e-09 -2.58798355881826e-09 ] [ 6.763907758290063e-09 2.054488704794669e-10 -4.771306490044699e-09 ] [ -1.776915770900283e-09 -3.029188713606894e-09 -1.91756348642786e-09 ] [ -1.233860408545054e-09 -1.276051326588891e-09 1.398405549677835e-09 ] [ 1.406024059727401e-09 8.71952582337984e-12 4.517945809461504e-09 ] [ -2.900715938220778e-09 -2.359846265211645e-09 5.231774614345211e-09 ] [ -5.870175507404248e-09 6.614959486125446e-10 -1.871272277976071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.255949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.886231440311714e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6746799 2.621332 2.1254554 ] [ 2.7759602 4.6113107 3.6957145 ] [ 0.9666935 3.0872367 3.9673726 ] [ 4.898723 2.8013754 0.881204 ] [ 3.1786911 2.3079741 4.4974177 ] [ 3.6337184 4.7659981 1.4479119 ] [ 4.8306491 3.456763 3.169407 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6746799e-10 2.621332e-10 2.1254554e-10 ] [ 2.7759602e-10 4.6113107e-10 3.6957145e-10 ] [ 9.666935e-11 3.0872367e-10 3.9673726e-10 ] [ 4.898723000000001e-10 2.8013754e-10 8.81204e-11 ] [ 3.1786911e-10 2.3079741e-10 4.4974177e-10 ] [ 3.6337184e-10 4.7659981e-10 1.4479119e-10 ] [ 4.830649099999999e-10 3.456763e-10 3.169407e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -4.9e-06 1.82e-05 ] [ -4.7e-06 1e-07 -2.6e-06 ] [ -1.81e-05 4.5e-06 3.5e-06 ] [ 5.1e-06 -5.3e-06 -1.58e-05 ] [ 5.2e-06 -1.41e-05 -2.5e-06 ] [ 7.9e-06 1.1e-05 -8e-06 ] [ 4.8e-06 8.7e-06 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -7.850665441919999e-15 2.915961449856e-14 ] [ -7.53023011776e-15 1.6021766208e-16 -4.16565921408e-15 ] [ -2.899939683648e-14 7.2097947936e-15 5.6076181728e-15 ] [ 8.17110076608e-15 -8.491536090240001e-15 -2.531439060864e-14 ] [ 8.33131842816e-15 -2.259069035328e-14 -4.005441552e-15 ] [ 1.265719530432e-14 1.76239428288e-14 -1.28174129664e-14 ] [ 7.69044777984e-15 1.393893660096e-14 1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.889965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.628682649873028e-18 } }