{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3502471 -1.5314805 -3.6235383 ] [ -4.7009894 -14.450657 5.6180059 ] [ 4.8874984 1.9831645 -3.4279222 ] [ 0.1637381 13.998973 1.4334546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.611577151229997e-10 -2.453702252311094e-09 -5.805548348833377e-09 ] [ -7.531815311308621e-09 -2.315250480059986e-08 9.001037708496463e-09 ] [ 7.830635670677407e-09 3.177379797100522e-09 -5.492136806761301e-09 ] [ 2.623373557542125e-10 2.242882725581044e-08 2.296647447098216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5333533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.263232671086529e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3023804 0.8373308 0.0230208 ] [ 1.0492768 0.3756412 2.3439737 ] [ 3.0180357 2.4658011 0.2850663 ] [ 1.0933436 2.6582015 1.6716433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3023804e-10 8.373308000000001e-11 2.30208e-12 ] [ 1.0492768e-10 3.756412e-11 2.3439737e-10 ] [ 3.0180357e-10 2.4658011e-10 2.850663e-11 ] [ 1.0933436e-10 2.6582015e-10 1.6716433e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 2.7e-06 -2.2e-05 ] [ -6.9e-06 -1.52e-05 2.65e-05 ] [ 4.4e-06 3.2e-06 -6.1e-06 ] [ -1.6e-06 9.3e-06 1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 4.32587687616e-15 -3.52478856576e-14 ] [ -1.105501868352e-14 -2.435308463616e-14 4.24576804512e-14 ] [ 7.04957713152e-15 5.126965186560001e-15 -9.77327738688e-15 ] [ -2.56348259328e-15 1.490024257344e-14 2.72370025536e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.031003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.927579173137467e-18 } }