{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1721484 -13.9479004 6.4402638 ] [ -9.1261058 17.3254551 -3.2624095 ] [ -17.6341046 -6.8939166 -1.5911156 ] [ 1.2058529 -7.224536 -16.8196547 ] [ 4.6490582 5.0957018 18.2119071 ] [ 4.8132979 -3.0086459 0.312101 ] [ 13.919853 8.6538421 -3.2910921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.480165383388127e-09 -2.234699993012697e-08 1.031844009214457e-08 ] [ -1.462163335170728e-08 2.775843910594013e-08 -5.226956228375817e-09 ] [ -2.825295011886174e-08 -1.104527200226503e-08 -2.549248215310164e-09 ] [ 1.93198932450388e-09 -1.157498267532795e-08 -2.694805753026884e-08 ] [ 7.448612356778531e-09 8.164214290528478e-09 2.917869177580153e-08 ] [ 7.711753364325737e-09 -4.820382121245775e-09 5.000409255283009e-10 ] [ 2.230206304157274e-08 1.386498349271478e-08 -5.272910819519576e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 20.909494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.350070243955788e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5617796 2.0277672 3.7732863 ] [ 1.6520361 5.5865108 2.3533626 ] [ 0.5544137 3.2792423 2.5718416 ] [ 2.5339461 2.987151 0.8411264 ] [ 2.6849201 4.1888454 4.6222731 ] [ 4.8974496 2.9396064 2.265346 ] [ 4.2300922 5.1344797 2.1746539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5617796e-10 2.0277672e-10 3.7732863e-10 ] [ 1.6520361e-10 5.5865108e-10 2.3533626e-10 ] [ 5.544137e-11 3.2792423e-10 2.5718416e-10 ] [ 2.5339461e-10 2.987151e-10 8.411264e-11 ] [ 2.6849201e-10 4.1888454e-10 4.6222731e-10 ] [ 4.8974496e-10 2.9396064e-10 2.265346e-10 ] [ 4.2300922e-10 5.1344797e-10 2.1746539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.0515394 0.908471 2.7784915 ] [ -0.3967079 0.0862608 -1.5994934 ] [ -0.7822627 1.9633631 -2.2073265 ] [ -2.980996 -0.4118303 -0.6005299 ] [ 0.0437514 -3.3029201 1.0138419 ] [ 1.4579806 1.8142068 0.0883651 ] [ 0.6066953 -1.0575511 0.5266514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.286928463330059e-09 1.455530996874797e-09 4.451634122391523e-09 ] [ -6.355961226666643e-10 1.382050370515046e-10 -2.562670930603903e-09 ] [ -1.253323009263884e-09 3.145654456961413e-09 -3.536526912772292e-09 ] [ -4.776082097898317e-09 -6.598248783970502e-10 -9.62154965871362e-10 ] [ 7.009747020726912e-11 -5.291861364590399e-09 1.624353789367452e-09 ] [ 2.335942430899956e-09 2.906679720256381e-09 1.415764973146541e-10 ] [ 9.720330256092424e-10 -1.694383647721323e-09 8.437885603915891e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.562721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.01276978798332e-18 } }