{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0786363 -7.6094458 -1.3861399 ] [ 2.5557841 -25.3545472 -1.2608799 ] [ -0.5570096 -1.4326305 2.5530635 ] [ 0.2338858 0.7181879 -0.8801551 ] [ 13.8697483 10.1715807 2.8773695 ] [ -8.888961 8.6161204 -22.7096729 ] [ 2.8651887 14.8907344 20.8064149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.614775558244421e-08 -1.219167625844944e-08 -2.220840959235097e-09 ] [ 4.094817566568719e-09 -4.062246308949012e-08 -2.020152314060256e-09 ] [ -8.924277660336863e-10 -2.295327112255737e-09 4.090458684818258e-09 ] [ 3.747263637843971e-10 1.150663872201528e-09 -1.410163935515933e-09 ] [ 2.222178664572122e-08 1.629666892838536e-08 4.610054180284262e-09 ] [ -1.424168561473727e-08 1.380454678061073e-08 -3.638490728616302e-08 ] [ 4.590538387140835e-09 2.385758671878001e-08 3.333555179008944e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5193645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.525170337242909e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9305432 2.7822035 2.8026788 ] [ 4.9307029 1.2526776 1.6608537 ] [ 5.154159 2.3317788 4.2340712 ] [ 3.2756868 0.8523868 3.4950003 ] [ 5.7507524 3.6390907 2.1114358 ] [ 3.5032775 3.30053 0.926129 ] [ 3.7268141 4.379635 3.4991992 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9305432e-10 2.7822035e-10 2.8026788e-10 ] [ 4.9307029e-10 1.2526776e-10 1.6608537e-10 ] [ 5.154159e-10 2.3317788e-10 4.2340712e-10 ] [ 3.2756868e-10 8.523868000000001e-11 3.4950003e-10 ] [ 5.7507524e-10 3.6390907e-10 2.1114358e-10 ] [ 3.5032775e-10 3.30053e-10 9.26129e-11 ] [ 3.7268141e-10 4.379635e-10 3.4991992e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.4e-06 -1.83e-05 -3.03e-05 ] [ -7.3e-06 -2.04e-05 -1.42e-05 ] [ 7.7e-06 -1.72e-05 1.02e-05 ] [ -4.5e-06 3.71e-05 2.47e-05 ] [ 9.7e-06 2.04e-05 -1.31e-05 ] [ -6.6e-06 2.1e-06 -8.5e-06 ] [ -8.5e-06 -3.7e-06 3.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.50604603596e-14 -2.93198324022e-14 -4.854595201019999e-14 ] [ -1.16958894282e-14 -3.26844033336e-14 -2.27509082028e-14 ] [ 1.23367600818e-14 -2.75574381048e-14 1.63422016668e-14 ] [ -7.209794853e-15 5.94407531214e-14 3.95737628598e-14 ] [ 1.55411133498e-14 3.26844033336e-14 -2.09885139054e-14 ] [ -1.05743657844e-14 3.364570931399999e-15 -1.3618501389e-14 ] [ -1.3618501389e-14 -5.9280535458e-15 5.014812864419999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554944816878e-18 } }