{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.4512227 -1.404976 -6.2377082 ] [ -12.0257514 -10.4376834 15.9186976 ] [ 2.2224963 -6.9818409 -2.9923265 ] [ -12.3669693 17.2949061 -26.686198 ] [ 31.6214471 1.5295942 19.9975351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.514252804791426e-08 -2.251019699985101e-09 -9.993910245412452e-09 ] [ -1.926737774063287e-08 -1.672301231879226e-08 2.550456512830507e-08 ] [ 3.560831611674503e-09 -1.118614226012523e-08 -4.794235560100291e-09 ] [ -1.981406908261134e-08 2.770949421235131e-08 -4.275600253363973e-08 ] [ 5.066314325948396e-08 2.450680066551279e-09 3.203958321084739e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.417256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.872871049688525e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0293651 0.9790715 0.4702356 ] [ 1.2689973 1.270681 2.5259112 ] [ 2.3713433 0.3794235 0.5257912 ] [ 1.6889687 2.7327839 0.6034553 ] [ 3.5235064 1.9428446 1.9665373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.93651e-12 9.790715e-11 4.702356e-11 ] [ 1.2689973e-10 1.270681e-10 2.5259112e-10 ] [ 2.3713433e-10 3.794235000000001e-11 5.257912e-11 ] [ 1.6889687e-10 2.7327839e-10 6.034553000000001e-11 ] [ 3.5235064e-10 1.9428446e-10 1.9665373e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.02e-05 1.91e-05 2.7e-06 ] [ -1.44e-05 -3.08e-05 8e-07 ] [ -2.46e-05 -2.5e-06 8.9e-06 ] [ -1.37e-05 -6.7e-06 -2.03e-05 ] [ 3.26e-05 2.09e-05 8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.236396774016e-14 3.060157345728e-14 4.32587687616e-15 ] [ -2.307134333952e-14 -4.934703992064001e-14 1.28174129664e-15 ] [ -3.941354487168e-14 -4.005441552e-15 1.425937192512e-14 ] [ -2.194981970496e-14 -1.073458335936e-14 -3.252418540224e-14 ] [ 5.223095783807999e-14 3.348549137472e-14 1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }