{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7262074 -6.1679246 -7.4202643 ] [ 2.5072613 -0.4282494 11.4737571 ] [ -7.2954127 6.026189 -3.2420068 ] [ -0.7619498 -0.6367914 -1.7609086 ] [ 3.7565903 -1.2374631 2.2740424 ] [ 1.9557972 -0.7908185 -4.1861076 ] [ 4.5639212 3.2350581 2.8614877 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.572219001331955e-09 -9.882104592977193e-09 -1.188857398161688e-08 ] [ 4.017075437096615e-09 -6.861311765516276e-10 1.838298537835801e-08 ] [ -1.16885396670274e-08 9.65501912832213e-09 -5.194267499434621e-09 ] [ -1.220778155783236e-09 -1.020252293406501e-09 -2.821286590285659e-09 ] [ 6.018721152584058e-09 -1.982634447922693e-09 3.643417567987922e-09 ] [ 3.133532548866102e-09 -1.267030911996125e-09 -6.706883728873198e-09 ] [ 7.312207845813481e-09 5.183134454749668e-09 4.584608693646764e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.295875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.77110465612792e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.616411 2.276668 2.7104588 ] [ 2.4880415 2.0186929 4.8277367 ] [ 2.0214452 4.4924089 2.1829687 ] [ 3.7885186 1.7858199 1.8577643 ] [ 4.5493487 2.5886953 3.9702538 ] [ 3.9921559 3.8646849 0.8687838 ] [ 4.2616681 4.7307421 3.1452089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.616411e-10 2.276668e-10 2.7104588e-10 ] [ 2.4880415e-10 2.0186929e-10 4.8277367e-10 ] [ 2.0214452e-10 4.4924089e-10 2.1829687e-10 ] [ 3.788518600000001e-10 1.7858199e-10 1.8577643e-10 ] [ 4.5493487e-10 2.5886953e-10 3.9702538e-10 ] [ 3.9921559e-10 3.8646849e-10 8.687838e-11 ] [ 4.2616681e-10 4.730742099999999e-10 3.1452089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 -2.71e-05 -1.3e-05 ] [ 9.4e-06 1.23e-05 2.58e-05 ] [ 6e-06 2.25e-05 -1.7e-05 ] [ 4.7e-06 -2.39e-05 2.25e-05 ] [ -1.46e-05 -1.8e-06 -2.62e-05 ] [ -6.5e-06 3.87e-05 3.9e-06 ] [ 2.5e-06 -2.07e-05 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 -4.341898642368e-14 -2.08282960704e-14 ] [ 1.506046023552e-14 1.970677243584e-14 4.133615681664e-14 ] [ 9.6130597248e-15 3.604897396800001e-14 -2.72370025536e-14 ] [ 7.53023011776e-15 -3.829202123712e-14 3.604897396800001e-14 ] [ -2.339177866368e-14 -2.88391791744e-15 -4.197702746496e-14 ] [ -1.04141480352e-14 6.200423522496e-14 6.24848882112e-15 ] [ 4.005441552e-15 -3.316505605055999e-14 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }