{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0764046 0.47563 0.3220073 ] [ -1.2141624 -0.0293432 1.8349708 ] [ 2.5468179 -0.5108257 -1.091755 ] [ 1.0640777 0.5540056 -0.1015079 ] [ -2.4731379 -0.4894667 -0.9637153 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.224136638415757e-10 7.62043266151104e-10 5.159125677869318e-10 ] [ -1.945302611134418e-09 -4.701298901945856e-11 2.939947315610672e-09 ] [ 4.080452096814953e-09 -8.184329938437947e-10 -1.749184336641504e-09 ] [ 1.704840413654636e-09 8.876148201122765e-10 -1.626335842065043e-10 ] [ -3.962403723394408e-09 -7.842121034001273e-10 -1.544042122767258e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.97804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.079311227180724e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1060239 1.9370445 0.3019936 ] [ 1.7741604 1.8048179 2.6499968 ] [ 3.1163644 0.8294851 0.8543885 ] [ 1.8860353 3.8889006 1.3767763 ] [ 3.8963822 2.7813449 1.9291527 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1060239e-10 1.9370445e-10 3.019936e-11 ] [ 1.7741604e-10 1.8048179e-10 2.6499968e-10 ] [ 3.1163644e-10 8.294851e-11 8.543885e-11 ] [ 1.8860353e-10 3.8889006e-10 1.3767763e-10 ] [ 3.8963822e-10 2.7813449e-10 1.9291527e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 1.39e-05 -1.13e-05 ] [ -7.6e-06 -3.7e-06 2.63e-05 ] [ 1.82e-05 -1.1e-05 -9.3e-06 ] [ -1.07e-05 6e-07 -1.44e-05 ] [ 1.92e-05 0.0 8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060157345728e-14 2.227025502912e-14 -1.810459581504e-14 ] [ -1.217654231808e-14 -5.928053496960001e-15 4.213724512704e-14 ] [ 2.915961449856e-14 -1.76239428288e-14 -1.490024257344e-14 ] [ -1.714328984256e-14 9.6130597248e-16 -2.307134333952e-14 ] [ 3.076179111936e-14 0.0 1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }