{ "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" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -47.9647115 -6.0245681 -8.2772536 ] [ -14.2542138 1.9699967 28.5123856 ] [ -11.7092338 -87.8096338 -123.684864 ] [ 59.5181378 63.8368227 74.7979942 ] [ 10.8442809 -10.727419 35.7055007 ] [ 3.5657403 38.7548015 -7.0537629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.68479393887169e-08 -9.652422160237476e-09 -1.326162220235263e-08 ] [ -2.283776809824473e-08 3.156282655793152e-09 4.568187761155459e-08 ] [ -1.876026064184114e-08 -1.406865423553695e-07 -1.981649974476276e-07 ] [ 9.535856889671275e-08 1.022778648760947e-07 1.19839597589974e-07 ] [ 1.737445332736798e-08 -1.718721992332571e-08 5.720651845549804e-08 ] [ 5.712945744504378e-09 6.209203690704478e-08 -1.130137400704641e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 67.536568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.082055102986694e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.000819 -0.9306345 1.0818818 ] [ 0.4757843 -0.4754192 3.3089132 ] [ 1.4095333 0.3724207 -0.2255659 ] [ 2.7602255 1.6377371 1.1790748 ] [ 2.1750489 1.1061358 3.3638822 ] [ 4.3724129 3.1364978 0.5288689 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.19e-14 -9.306345e-11 1.0818818e-10 ] [ 4.757843e-11 -4.754192e-11 3.3089132e-10 ] [ 1.4095333e-10 3.724207e-11 -2.255659e-11 ] [ 2.7602255e-10 1.6377371e-10 1.1790748e-10 ] [ 2.1750489e-10 1.1061358e-10 3.3638822e-10 ] [ 4.3724129e-10 3.1364978e-10 5.288689e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.25e-05 -3.5e-06 -1.67e-05 ] [ 2.5e-06 -3.2e-06 2.8e-06 ] [ -4.59e-05 -2.05e-05 -1e-06 ] [ -2.92e-05 -3.2e-06 -4.53e-05 ] [ 1.3e-05 2.29e-05 3.02e-05 ] [ 3.7e-05 7.5e-06 3.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.604897396800001e-14 -5.6076181728e-15 -2.675634956736e-14 ] [ 4.005441552e-15 -5.126965186560001e-15 4.48609453824e-15 ] [ -7.353990689472e-14 -3.28446207264e-14 -1.6021766208e-15 ] [ -4.678355732736e-14 -5.126965186560001e-15 -7.257860092224001e-14 ] [ 2.08282960704e-14 3.668984461632e-14 4.838573394816e-14 ] [ 5.92805349696e-14 1.2016324656e-14 4.822551628608e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.102489 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.419685479168917e-18 } }