{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.083673 -1.3896406 3.9371803 ] [ -21.1280483 6.6753821 6.8411277 ] [ 1.8536613 -19.3523023 -6.1909245 ] [ 2.5675953 -1.2768969 0.6478802 ] [ 17.3483997 13.3895908 -16.160258 ] [ 4.442065 1.953867 10.9249943 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.144942028392198e-09 -2.226449680634484e-09 6.30805822853433e-09 ] [ -3.385086502939318e-08 1.069514113552681e-08 1.096069486084728e-08 ] [ 2.969892797741735e-09 -3.100580630371407e-08 -9.918954495037932e-09 ] [ 4.113741161335962e-09 -2.045814360351996e-09 1.038018509519228e-09 ] [ 2.779520040763374e-08 2.145248934183877e-08 -2.589158755369617e-08 ] [ 7.116972691073952e-09 3.130440027552634e-09 1.750377044983326e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6336971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.42400116148876e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1650692 0.7533461 2.4319595 ] [ 1.2114938 2.9877526 1.9045293 ] [ 3.4029723 0.2313447 0.4563199 ] [ 2.5936971 0.1806852 2.8055671 ] [ 2.3181357 2.4345584 -0.250877 ] [ 3.124562 2.5503116 3.4902695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.650692e-11 7.533461e-11 2.4319595e-10 ] [ 1.2114938e-10 2.9877526e-10 1.9045293e-10 ] [ 3.4029723e-10 2.313447e-11 4.563199e-11 ] [ 2.5936971e-10 1.806852e-11 2.8055671e-10 ] [ 2.3181357e-10 2.4345584e-10 -2.50877e-11 ] [ 3.124562e-10 2.5503116e-10 3.4902695e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 -4e-07 1.63e-05 ] [ -1.22e-05 -5e-07 -8e-07 ] [ 2.56e-05 4.1e-06 -1e-06 ] [ -1.69e-05 -2.8e-06 -2.9e-06 ] [ 3.6e-06 2.9e-06 -1.5e-06 ] [ 1.51e-05 -3.4e-06 -1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 -6.408706483200001e-16 2.611547891904e-14 ] [ -1.954655477376e-14 -8.010883104e-16 -1.28174129664e-15 ] [ 4.101572149248001e-14 6.568924145279999e-15 -1.6021766208e-15 ] [ -2.707678489152e-14 -4.48609453824e-15 -4.646312200320001e-15 ] [ 5.76783583488e-15 4.646312200320001e-15 -2.4032649312e-15 ] [ 2.419286697408e-14 -5.44740051072e-15 -1.6021766208e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }