{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1819199 1.5688178 -0.7157077 ] [ 0.6006435 -5.2845279 2.6168395 ] [ -4.3696461 0.0265585 -2.4968367 ] [ -1.6712419 -1.1972984 -4.0539831 ] [ -0.2662926 2.2925615 3.8740987 ] [ 2.6886114 -0.4086134 -3.1666188 ] [ 2.8360059 3.002502 3.9422081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.914678106382739e-10 2.51352320145489e-09 -1.14669014426654e-09 ] [ 9.623369731354847e-10 -8.46674705334532e-09 4.192639067285962e-09 ] [ -7.000944822589899e-09 4.25514077835168e-11 -4.000373386695423e-09 ] [ -2.677624699881372e-09 -1.918283504601247e-09 -6.495196943938309e-09 ] [ -4.266477780120461e-10 3.673088437046179e-09 6.206990363811672e-09 ] [ 4.307630327496357e-09 -6.546708364255987e-10 -5.073482608345751e-09 ] [ 4.543782349430863e-09 4.810538508305241e-09 6.316113652148389e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.405771 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.551106219199864e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6734284 2.6421513 1.2084623 ] [ 3.1522748 2.3117896 3.7193609 ] [ 1.9227169 4.2695796 2.5799373 ] [ 4.8183643 2.2032296 1.7558373 ] [ 5.3932941 3.5593793 3.4656147 ] [ 4.2123185 4.6925318 1.474554 ] [ 3.6036881 4.8364587 3.9749335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6734284e-10 2.6421513e-10 1.2084623e-10 ] [ 3.1522748e-10 2.3117896e-10 3.7193609e-10 ] [ 1.9227169e-10 4.269579600000001e-10 2.5799373e-10 ] [ 4.8183643e-10 2.2032296e-10 1.7558373e-10 ] [ 5.393294100000001e-10 3.5593793e-10 3.4656147e-10 ] [ 4.2123185e-10 4.6925318e-10 1.474554e-10 ] [ 3.6036881e-10 4.8364587e-10 3.9749335e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.17e-05 -8.4e-06 -2.41e-05 ] [ -2.1e-06 -2.6e-05 1.01e-05 ] [ -4.53e-05 1.44e-05 -3.9e-06 ] [ 3.19e-05 -3.72e-05 -1.59e-05 ] [ 4.63e-05 9e-06 2.31e-05 ] [ 1.89e-05 1.74e-05 -1.49e-05 ] [ -8e-06 3.08e-05 2.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.681076508736e-14 -1.345828361472e-14 -3.861245656128e-14 ] [ -3.36457090368e-15 -4.16565921408e-14 1.618198387008e-14 ] [ -7.257860092224001e-14 2.307134333952e-14 -6.24848882112e-15 ] [ 5.110943420352001e-14 -5.960097029376001e-14 -2.547460827072e-14 ] [ 7.418077754303999e-14 1.44195895872e-14 3.701027994048e-14 ] [ 3.028113813312e-14 2.787787320192e-14 -2.387243164992e-14 ] [ -1.28174129664e-14 4.934703992064001e-14 4.101572149248001e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.399964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191046483556165e-18 } }