{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9932759 -2.0340721 0.9910053 ] [ -2.2516509 2.9876243 0.3874515 ] [ 3.0724812 -0.7926155 -1.4485872 ] [ -1.7446113 -1.6356969 -2.9192832 ] [ 1.215659 -3.0227166 1.1545539 ] [ 1.0274034 3.3186009 -1.3561321 ] [ 1.6739945 1.1788759 3.1909917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.795756666584079e-09 -3.258942763641559e-09 1.58776552274889e-09 ] [ -3.607542430183279e-09 4.786701805193965e-09 6.207657349938912e-10 ] [ 4.922657546487529e-09 -1.269910023383702e-09 -2.320892545030134e-09 ] [ -2.795175437243495e-09 -2.620675331895035e-09 -4.67720729253421e-09 ] [ 1.947700428665107e-09 -4.842925867824066e-09 1.849799266033461e-09 ] [ 1.646081707610431e-09 5.316984775745839e-09 -2.172763145336407e-09 ] [ 2.682034851247786e-09 1.888767405804559e-09 5.112532298906848e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.66192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.669533868163993e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5226674 1.3479542 4.2790466 ] [ 0.8451277 6.7855258 3.5182357 ] [ 8.3876928 2.1626667 0.2345215 ] [ 2.8387618 1.9494847 -0.7094006 ] [ 5.6429818 -0.6504327 4.0819924 ] [ 5.5031168 6.8317113 0.5940259 ] [ 5.5100246 4.5825001 5.8460505 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.226674e-11 1.3479542e-10 4.2790466e-10 ] [ 8.451277000000001e-11 6.7855258e-10 3.5182357e-10 ] [ 8.3876928e-10 2.1626667e-10 2.345215e-11 ] [ 2.8387618e-10 1.9494847e-10 -7.094006000000001e-11 ] [ 5.642981800000001e-10 -6.504327e-11 4.0819924e-10 ] [ 5.5031168e-10 6.831711300000001e-10 5.940259e-11 ] [ 5.510024600000001e-10 4.5825001e-10 5.8460505e-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 ] [ 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 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 1.110223e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.778773334474438e-34 } }