{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0657247 0.6108718 0.1983682 ] [ -2.0163393 -1.2703401 0.2932688 ] [ 0.7057039 -0.1231603 0.8799068 ] [ 0.1788303 0.2455338 -3.8448937 ] [ 0.2291788 -3.2343759 3.6087934 ] [ -0.237568 2.4039821 -1.7964092 ] [ 1.0744695 1.3674886 0.6609656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.053025777490938e-10 9.787245162660134e-10 3.178208923501786e-10 ] [ -3.230531686060237e-09 -2.035309208684735e-09 4.698684149700711e-10 ] [ 1.130662289787381e-09 -1.973245532707142e-10 1.409766103442941e-09 ] [ 2.865177257506503e-10 3.93388513976183e-10 -6.16019879560121e-09 ] [ 3.671849153429991e-10 -5.182041449858959e-09 5.781924414777343e-09 ] [ -3.806258954502144e-10 3.851603917441688e-09 -2.878164821630031e-09 ] [ 1.721489912662666e-09 2.190958264130523e-09 1.058983631473045e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.429942158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.030190300013221e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.102279 1.2121955 1.5221095 ] [ 1.9612784 2.1044924 3.7232092 ] [ 1.2592855 3.3638061 1.8514293 ] [ 4.3090789 2.1428185 1.525699 ] [ 4.4759982 2.1153529 3.9113118 ] [ 3.3500091 3.9632482 2.8198507 ] [ 5.2475788 4.2972034 4.0544917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.102279e-10 1.2121955e-10 1.5221095e-10 ] [ 1.9612784e-10 2.1044924e-10 3.7232092e-10 ] [ 1.2592855e-10 3.3638061e-10 1.8514293e-10 ] [ 4.3090789e-10 2.1428185e-10 1.525699e-10 ] [ 4.475998200000001e-10 2.1153529e-10 3.9113118e-10 ] [ 3.3500091e-10 3.963248200000001e-10 2.8198507e-10 ] [ 5.2475788e-10 4.2972034e-10 4.0544917e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 4.22e-05 1.98e-05 ] [ -3.1e-06 8e-07 -3.08e-05 ] [ 3.32e-05 -2.17e-05 1.7e-05 ] [ -3.03e-05 -2.09e-05 5.8e-06 ] [ 2.81e-05 1.97e-05 -1.35e-05 ] [ -2e-07 -1.85e-05 -1.76e-05 ] [ -2.44e-05 -1.8e-06 1.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 6.761185339776e-14 3.172309709184e-14 ] [ -4.96674752448e-15 1.28174129664e-15 -4.934703992064001e-14 ] [ 5.319226381056e-14 -3.476723267136e-14 2.72370025536e-14 ] [ -4.854595161024e-14 -3.348549137472e-14 9.292624400640001e-15 ] [ 4.502116304448e-14 3.156287942976e-14 -2.16293843808e-14 ] [ -3.2043532416e-16 -2.96402674848e-14 -2.819830852608e-14 ] [ -3.909310954752e-14 -2.88391791744e-15 3.076179111936e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.883700158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.263108008003317e-18 } }