{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1353952 -2.9626299 -2.9294071 ] [ 4.6532245 -1.3850986 5.7331226 ] [ -2.1868719 6.8450882 -0.9167865 ] [ -4.2971723 -3.8522623 -2.762912 ] [ -4.7755556 0.9543201 -3.2911044 ] [ 0.4709799 0.4005825 4.1670874 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.829986829795755e-09 -4.746656400969756e-09 -4.693427607093702e-09 ] [ 7.455287566656332e-09 -2.219172612706112e-09 9.185475069577326e-09 ] [ -3.503755059731184e-09 1.096704037170912e-08 -1.468853908666641e-09 ] [ -6.884829051332037e-09 -6.172004645099098e-09 -4.426673048198208e-09 ] [ -7.65128359668785e-09 1.528989365576543e-09 -5.272930569734589e-09 ] [ 7.545929908636565e-10 6.41803921489305e-10 6.67641006411581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.828329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535977887906459e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0978813 2.4070133 1.639732 ] [ 1.6340119 2.9233277 4.0845608 ] [ 0.5087166 4.6974113 2.6316012 ] [ 3.230753 1.5854339 2.6041308 ] [ 2.946827 4.0885062 2.1737666 ] [ 4.1538845 3.2932954 4.2798067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0978813e-10 2.4070133e-10 1.639732e-10 ] [ 1.6340119e-10 2.9233277e-10 4.0845608e-10 ] [ 5.087166e-11 4.697411299999999e-10 2.6316012e-10 ] [ 3.230753e-10 1.5854339e-10 2.6041308e-10 ] [ 2.946827e-10 4.088506200000001e-10 2.1737666e-10 ] [ 4.1538845e-10 3.2932954e-10 4.2798067e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 5.5e-06 -4.1e-06 ] [ 1.64e-05 -2.79e-05 -1.76e-05 ] [ -1.1e-06 2.15e-05 4.1e-06 ] [ 2e-07 7.5e-06 2.63e-05 ] [ -1.89e-05 -7.2e-06 -1.63e-05 ] [ 3.1e-06 6e-07 7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706536e-16 8.811971486999999e-15 -6.568924199399999e-15 ] [ 2.62756967976e-14 -4.470072808859999e-14 -2.81983087584e-14 ] [ -1.7623942974e-15 3.4446797631e-14 6.568924199399999e-15 ] [ 3.204353268e-16 1.2016324755e-14 4.21372454742e-14 ] [ -3.02811383826e-14 -1.15356717648e-14 -2.61154791342e-14 ] [ 4.9667475654e-15 9.613059803999998e-16 1.2016324755e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.607709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.30171898400715e-18 } }