{ "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" [ [ 2.723222 4.526694 1.360574 ] [ 2.417536 3.174257 3.140142 ] [ 3.174903 0.8317717 2.605725 ] [ 4.479997 2.361559 1.640517 ] [ 3.774403 1.830324 4.619346 ] [ 4.138625 4.139223 3.615344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.723222e-10 4.526694e-10 1.360574e-10 ] [ 2.417536e-10 3.174257e-10 3.140142e-10 ] [ 3.174903e-10 8.317717e-11 2.605725e-10 ] [ 4.479997e-10 2.361559e-10 1.640517e-10 ] [ 3.774403e-10 1.830324e-10 4.619346e-10 ] [ 4.138625e-10 4.139223000000001e-10 3.615344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0761003 -3.6222183 4.1380337 ] [ -13.5789314 -16.6010779 -6.7144249 ] [ 0.0337594 5.9223497 3.2764613 ] [ -4.9838222 4.4104312 5.3504537 ] [ -2.0871763 4.4885823 -7.8561298 ] [ 17.5400702 5.401933 1.805606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.928455983895866e-09 -5.803433475693921e-09 6.629860850222521e-09 ] [ -2.175584642452701e-08 -2.659785889145956e-08 -1.075769459689738e-08 ] [ 5.408852141223553e-11 9.488650229541894e-09 5.249469693815975e-09 ] [ -7.98496341106402e-09 7.066289756286889e-09 8.572371828812856e-09 ] [ -3.344025071347847e-09 7.191501621596692e-09 -1.258690749553018e-08 ] [ 2.810229040163078e-08 8.654850759728006e-09 2.892899719576205e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.919166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.152708179583426e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0669472 4.334646 1.5505552 ] [ 2.3061685 2.9012995 3.0487061 ] [ 2.9962342 0.8459757 2.6277847 ] [ 4.272371 2.5497655 2.0393083 ] [ 4.0120438 2.0582956 4.1842657 ] [ 4.0549213 4.1738464 3.5310281 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0669472e-10 4.334646e-10 1.5505552e-10 ] [ 2.3061685e-10 2.9012995e-10 3.0487061e-10 ] [ 2.9962342e-10 8.459757e-11 2.6277847e-10 ] [ 4.272371e-10 2.5497655e-10 2.0393083e-10 ] [ 4.0120438e-10 2.0582956e-10 4.1842657e-10 ] [ 4.0549213e-10 4.173846400000001e-10 3.5310281e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.28e-05 2.08e-05 2.97e-05 ] [ -4.4e-05 -7.51e-05 3.7e-06 ] [ 7.06e-05 3.63e-05 2.03e-05 ] [ -5.74e-05 -8.62e-05 -3.71e-05 ] [ -6.25e-05 4.4e-05 -6e-05 ] [ 6.05e-05 6.03e-05 4.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.255139316223999e-14 3.332527371264e-14 4.758464563776e-14 ] [ -7.04957713152e-14 -1.2032346422208e-13 5.928053496960001e-15 ] [ 1.1311366942848e-13 5.815901133504e-14 3.252418540224e-14 ] [ -9.196493803392e-14 -1.3810762471296e-13 -5.944075263168e-14 ] [ -1.001360388e-13 7.04957713152e-14 -9.6130597248e-14 ] [ 9.69316855584e-14 9.661125023424001e-14 6.953446534272e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }