{ "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" [ [ 1.250049 0.006506 1.072993 ] [ 1.196915 2.832702 0.8072165 ] [ 0.1797786 2.271145 2.71237 ] [ 2.446401 0.6534775 0.0239044 ] [ 1.500106 1.367345 2.855106 ] [ 2.614126 2.99563 2.902741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.250049e-10 6.506e-13 1.072993e-10 ] [ 1.196915e-10 2.832702e-10 8.072165e-11 ] [ 1.797786e-11 2.271145e-10 2.71237e-10 ] [ 2.446401e-10 6.534775e-11 2.39044e-12 ] [ 1.500106e-10 1.367345e-10 2.855106e-10 ] [ 2.614126e-10 2.99563e-10 2.902741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.3109812 -14.3242743 16.5043239 ] [ 1.8737571 2.1450279 -6.5280749 ] [ -40.8573577 25.4435447 0.859249 ] [ 19.2143937 11.551514 -20.2949448 ] [ 29.0577387 -32.4043127 8.279681 ] [ 8.0224495 7.5885004 1.1797658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.773524936174833e-08 -2.295001739338629e-08 2.644284189469068e-08 ] [ 3.002089818678008e-09 3.436713552343721e-09 -1.04591289836113e-08 ] [ -6.546070329460286e-08 4.076505246861975e-08 1.376668659245779e-09 ] [ 3.078485236898681e-08 1.850756566564389e-08 -3.251608607898653e-08 ] [ 4.655562959845539e-08 -5.191743222103252e-08 1.326551132588197e-08 ] [ 1.285338103044865e-08 1.215811792781145e-08 1.890193182779409e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.26394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.644464470529395e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7582378 -0.2265472 1.5262788 ] [ 1.5255714 3.1066209 0.8035092 ] [ -0.3279038 2.3683241 2.2356472 ] [ 1.9176246 1.1075368 -0.4339836 ] [ 1.326794 1.0625134 3.5062563 ] [ 2.9870516 2.7083576 2.7366229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7582378e-10 -2.265472e-11 1.5262788e-10 ] [ 1.5255714e-10 3.1066209e-10 8.035092e-11 ] [ -3.279038e-11 2.3683241e-10 2.2356472e-10 ] [ 1.9176246e-10 1.1075368e-10 -4.339836e-11 ] [ 1.326794e-10 1.0625134e-10 3.5062563e-10 ] [ 2.9870516e-10 2.7083576e-10 2.7366229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 1.14e-05 1.07e-05 ] [ 3e-06 -6.6e-06 1.19e-05 ] [ 1.03e-05 5.6e-06 1.25e-05 ] [ 5e-06 3.2e-06 2.7e-06 ] [ -2.45e-05 -1.07e-05 -8e-06 ] [ -7e-06 -2.9e-06 -2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 1.826481347712e-14 1.714328984256e-14 ] [ 4.8065298624e-15 -1.057436569728e-14 1.906590178752e-14 ] [ 1.650241919424e-14 8.972189076479999e-15 2.002720776e-14 ] [ 8.010883104e-15 5.126965186560001e-15 4.32587687616e-15 ] [ -3.92533272096e-14 -1.714328984256e-14 -1.28174129664e-14 ] [ -1.12152363456e-14 -4.646312200320001e-15 -4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.053047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.411763997520358e-18 } }