{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3337277 -2.3955445 -3.5407564 ] [ -6.9481171 4.8282511 -4.0132691 ] [ -3.9845958 -5.1111698 4.0416267 ] [ -1.6205906 0.8436314 1.2161255 ] [ 6.4087867 -4.1137653 1.3650945 ] [ 2.9485197 1.1380012 -3.5679864 ] [ 3.5297248 4.8105959 4.4991653 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.346907186533562e-10 -3.838085391986026e-09 -5.672917124027973e-09 ] [ -1.11321107762007e-08 7.735711031771883e-09 -6.429965924999057e-09 ] [ -6.384026234097873e-09 -8.18899675849901e-09 6.475399808741056e-09 ] [ -2.596472371208245e-09 1.351646505652773e-09 1.94844784405871e-09 ] [ 1.026800821843398e-08 -6.590978587118298e-09 2.187122493082666e-09 ] [ 4.72404932930823e-09 1.823278917082345e-09 -5.716544393412357e-09 ] [ 5.655242552417956e-09 7.707424283096335e-09 7.208457456774618e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3585591 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.499406459439509e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9973927 2.7958317 1.2403271 ] [ 1.6364672 5.054507 1.1393337 ] [ 2.2703233 2.2873979 3.4559734 ] [ 4.2995529 3.1874024 1.0781418 ] [ 4.4449645 3.0019812 3.4070967 ] [ 3.8783519 5.4755345 1.3362319 ] [ 4.3745165 5.2851243 3.5632595 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9973927e-10 2.7958317e-10 1.2403271e-10 ] [ 1.6364672e-10 5.054507000000001e-10 1.1393337e-10 ] [ 2.2703233e-10 2.2873979e-10 3.4559734e-10 ] [ 4.2995529e-10 3.1874024e-10 1.0781418e-10 ] [ 4.4449645e-10 3.0019812e-10 3.4070967e-10 ] [ 3.878351900000001e-10 5.4755345e-10 1.3362319e-10 ] [ 4.3745165e-10 5.285124299999999e-10 3.5632595e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 -1.12e-05 -1.16e-05 ] [ -1.44e-05 9.9e-06 -4.2e-06 ] [ -8e-07 -7.8e-06 -8e-07 ] [ -1.38e-05 6.4e-06 3.7e-06 ] [ 1.84e-05 2.4e-06 2.95e-05 ] [ 1.42e-05 1.41e-05 -9.3e-06 ] [ 1.8e-06 -1.36e-05 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 -1.794437815296e-14 -1.858524880128e-14 ] [ -2.307134333952e-14 1.586154854592e-14 -6.72914180736e-15 ] [ -1.28174129664e-15 -1.249697764224e-14 -1.28174129664e-15 ] [ -2.211003736704e-14 1.025393037312e-14 5.928053496960001e-15 ] [ 2.948004982272e-14 3.84522388992e-15 4.72642103136e-14 ] [ 2.275090801536e-14 2.259069035328e-14 -1.490024257344e-14 ] [ 2.88391791744e-15 -2.178960204288e-14 -1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.403283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307660328536609e-18 } }