{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.1009559 4.607832 3.6347717 ] [ 4.2504478 -7.0814762 -2.2977473 ] [ -4.4971728 -4.6299872 5.088678 ] [ -7.129438 6.7936911 3.0996871 ] [ -1.7247929 0.3099404 -9.5253896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.458133876991182e-08 7.382560702974106e-09 5.823546239685472e-09 ] [ 6.809968093090794e-09 -1.134577560839163e-08 -3.681397004566324e-09 ] [ -7.205265119857675e-09 -7.418057246443255e-09 8.152960922379303e-09 ] [ -1.142261888304311e-08 1.088469304935704e-08 4.966246203415352e-09 ] [ -2.763422860101832e-09 4.965792627214003e-10 -1.526135652113146e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -22.581847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.618010731788262e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.587043 2.7211683 2.2707446 ] [ 2.6830942 4.7962388 3.0405965 ] [ 4.6005937 1.8054765 2.3929545 ] [ 4.3991166 3.9596332 1.9166881 ] [ 3.9393715 3.2217702 3.9628933 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.587043e-10 2.7211683e-10 2.2707446e-10 ] [ 2.6830942e-10 4.796238800000001e-10 3.0405965e-10 ] [ 4.6005937e-10 1.8054765e-10 2.3929545e-10 ] [ 4.3991166e-10 3.9596332e-10 1.9166881e-10 ] [ 3.9393715e-10 3.2217702e-10 3.9628933e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 1.76e-05 6.2e-06 ] [ -1.05e-05 -1.37e-05 1.52e-05 ] [ 2.48e-05 -3.81e-05 -2.52e-05 ] [ 1.64e-05 -5.8e-06 -2.5e-06 ] [ -2.03e-05 4e-05 6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650241919424e-14 2.819830852608e-14 9.93349504896e-15 ] [ -1.68228545184e-14 -2.194981970496e-14 2.435308463616e-14 ] [ 3.973398019584e-14 -6.104292925248e-14 -4.037485084416e-14 ] [ 2.627569658112e-14 -9.292624400640001e-15 -4.005441552e-15 ] [ -3.252418540224e-14 6.4087064832e-14 1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }