{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9672549 -4.5398718 -1.7031809 ] [ 0.865187 -5.7017845 -1.6306184 ] [ -3.0538657 2.4783658 -2.8460465 ] [ -3.6887776 -0.9022943 2.2558308 ] [ 2.5785854 4.2863425 2.6509353 ] [ 2.735438 3.4203392 -3.2259751 ] [ 2.5306878 0.9589032 4.4990547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.151889807934242e-09 -7.273676459389214e-09 -2.728796618973103e-09 ] [ 1.38618238402009e-09 -9.135265822739816e-09 -2.612538677926303e-09 ] [ -4.892832227603026e-09 3.970779742550289e-09 -4.559869164009667e-09 ] [ -5.910073230050734e-09 -1.445634832541101e-09 3.614239368240561e-09 ] [ 4.131349242616216e-09 6.867477742241424e-09 4.247266560913434e-09 ] [ 4.38265481124791e-09 5.479987501445775e-09 -5.168581884502942e-09 ] [ 4.054608827703786e-09 1.536332288650306e-09 7.208280256040358e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.693451 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.475674001667038e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3713861 2.8834203 2.42637 ] [ 4.1305677 1.074999 1.9705067 ] [ 4.1602268 3.0877799 0.6012136 ] [ 3.7277696 1.7403925 4.2774819 ] [ 5.3497402 3.142469 2.8716731 ] [ 3.7757642 4.9971387 2.0619156 ] [ 3.5084885 4.1644096 4.3339784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3713861e-10 2.8834203e-10 2.42637e-10 ] [ 4.130567700000001e-10 1.074999e-10 1.9705067e-10 ] [ 4.1602268e-10 3.0877799e-10 6.012136e-11 ] [ 3.7277696e-10 1.7403925e-10 4.2774819e-10 ] [ 5.349740200000001e-10 3.142469e-10 2.8716731e-10 ] [ 3.7757642e-10 4.9971387e-10 2.0619156e-10 ] [ 3.5084885e-10 4.1644096e-10 4.333978400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.13e-05 -8.2e-06 -8.4e-06 ] [ -6.4e-06 3.15e-05 5.8e-06 ] [ 1.32e-05 -2.93e-05 7e-07 ] [ 6e-07 -3.8e-06 1.36e-05 ] [ -6.56e-05 -1.58e-05 -3.44e-05 ] [ -8.7e-06 1.98e-05 4.16e-05 ] [ 5.5e-06 5.8e-06 -1.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.821342685504e-14 -1.313784829056e-14 -1.345828361472e-14 ] [ -1.025393037312e-14 5.04685635552e-14 9.292624400640001e-15 ] [ 2.114873139456e-14 -4.694377498944e-14 1.12152363456e-15 ] [ 9.6130597248e-16 -6.08827115904e-15 2.178960204288e-14 ] [ -1.0510278632448e-13 -2.531439060864e-14 -5.511487575552001e-14 ] [ -1.393893660096e-14 3.172309709184e-14 6.665054742528e-14 ] [ 8.8119714144e-15 9.292624400640001e-15 -3.028113813312e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }