{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 12.7883644 -17.9474042 14.3749768 ] [ -54.3342899 -94.9087224 -84.9435726 ] [ 36.567201 110.0423089 74.6555935 ] [ 9.6926215 -20.7152372 -3.5137712 ] [ -11.9862148 11.921877 -17.2317988 ] [ 7.2723179 11.607178 16.6585723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.048921845995102e-08 -2.875491141328773e-08 2.30312517535024e-08 ] [ -8.705312898554958e-08 -1.520605361392773e-07 -1.360946061069475e-07 ] [ 5.858711453029438e-08 1.763072146184318e-07 1.196114465176484e-07 ] [ 1.552929156156342e-08 -3.318946873616646e-08 -5.629682067480361e-09 ] [ -1.920403312444695e-08 1.910095260545324e-08 -2.76083851716895e-08 ] [ 1.165153771840535e-08 1.85967492250641e-08 2.668997507496648e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 34.548394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.5352629152987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3149708 0.1023709 2.4526928 ] [ -0.015748 1.6035563 1.1517887 ] [ 1.0811201 2.3909505 3.125008 ] [ 2.8278502 0.0308302 0.6746807 ] [ 1.9910194 2.130244 0.0569678 ] [ 2.4545817 3.6842616 1.7479839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3149708e-10 1.023709e-11 2.4526928e-10 ] [ -1.5748e-12 1.6035563e-10 1.1517887e-10 ] [ 1.0811201e-10 2.3909505e-10 3.125008e-10 ] [ 2.8278502e-10 3.08302e-12 6.746807000000001e-11 ] [ 1.9910194e-10 2.130244e-10 5.69678e-12 ] [ 2.4545817e-10 3.6842616e-10 1.7479839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.75e-05 3.13e-05 -2.55e-05 ] [ -1.08e-05 2.8e-06 1.36e-05 ] [ 1.35e-05 -1.76e-05 5.7e-06 ] [ 2.34e-05 1.49e-05 1.92e-05 ] [ -6.1e-06 -9.1e-06 -6.4e-06 ] [ -2.6e-06 -2.22e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8038090864e-14 5.014812823104e-14 -4.08555038304e-14 ] [ -1.730350750464e-14 4.48609453824e-15 2.178960204288e-14 ] [ 2.16293843808e-14 -2.819830852608e-14 9.13240673856e-15 ] [ 3.749093292672001e-14 2.387243164992e-14 3.076179111936e-14 ] [ -9.77327738688e-15 -1.457980724928e-14 -1.025393037312e-14 ] [ -4.16565921408e-15 -3.556832098176e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.152501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.908351271124862e-18 } }