{ "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" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4236358 2.3713923 -1.1453241 ] [ -3.5914063 0.1082732 4.6581832 ] [ 6.4832016 -2.205296 -5.8812342 ] [ 1.7484762 -2.4368469 -1.9194483 ] [ -5.0639073 2.1624775 4.2878233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.787393744939046e-10 3.79938930180514e-09 -1.835011496258801e-09 ] [ -5.754067209653831e-09 1.734727896992026e-10 7.46323221844333e-09 ] [ 1.038723403145315e-08 -3.533273693143757e-09 -9.422775936689392e-09 ] [ 2.801367689665225e-09 -3.904259131648956e-09 -3.075295191094305e-09 ] [ -8.113273885958453e-09 3.464670893506032e-09 6.869850245381505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.903857705730561e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4575535 2.8949623 2.2014304 ] [ 2.6725434 2.4134892 0.0653637 ] [ 3.3208463 3.6329372 4.0875866 ] [ 3.6359492 2.1976787 -1.9009181 ] [ 4.8261035 4.4350306 5.4779528 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4575535e-10 2.8949623e-10 2.2014304e-10 ] [ 2.6725434e-10 2.4134892e-10 6.53637e-12 ] [ 3.3208463e-10 3.6329372e-10 4.0875866e-10 ] [ 3.6359492e-10 2.1976787e-10 -1.9009181e-10 ] [ 4.826103500000001e-10 4.435030600000001e-10 5.4779528e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0878177 0.0779998 0.2033437 ] [ -0.0204391 -0.038558 -0.1272491 ] [ -0.0392332 -0.0231221 -0.0449187 ] [ -0.0052195 -0.0135483 -0.0469952 ] [ -0.0229259 -0.0027714 0.0158193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.406994658324282e-10 1.249694559870759e-10 3.25792522126969e-10 ] [ -3.274704817019328e-11 -6.177672614480641e-11 -2.038755330378413e-10 ] [ -6.285851579917056e-11 -3.704568804379968e-11 -7.196769097672897e-11 ] [ -8.362560872265601e-12 -2.170676951158464e-11 -7.529461072982017e-11 ] [ -3.673134099079872e-11 -4.440272286885119e-12 2.534531261742144e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.150542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.786513770164847e-18 } }