{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3250158 -5.0427153 0.0875981 ] [ 3.0384201 -2.7288022 -2.1283144 ] [ 1.6327693 0.0530928 -2.8850523 ] [ 0.995218 -1.0867809 8.5151223 ] [ -1.6003029 -2.4017408 -5.9276215 ] [ 5.7844879 3.8775674 -0.6114675 ] [ -2.5255767 7.3293791 2.9497352 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.173596906175061e-08 -8.07932055901046e-09 1.403476278465005e-10 ] [ 4.868085648388799e-09 -4.372023087627606e-09 -3.409935573391979e-09 ] [ 2.615984799619982e-09 8.506404289281024e-11 -4.622363344845268e-09 ] [ 1.594515012199335e-09 -1.741214949911983e-09 1.364272987231272e-08 ] [ -2.56396789257844e-09 -3.848012958981488e-09 -9.497096584251427e-09 ] [ 9.267771276680489e-09 6.212547833856242e-09 -9.796789328790241e-10 ] [ -4.046419942777215e-09 1.174295983900014e-08 4.725996774990813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.707859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.997329431502287e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2740677 2.3987715 3.4281419 ] [ 5.8951091 2.2044421 0.9312889 ] [ 4.630063 1.5913541 3.0794679 ] [ 5.394184 3.9838105 2.7128023 ] [ 3.4962076 3.0306635 1.3230763 ] [ 4.1699432 3.3508544 4.8163193 ] [ 3.0373343 4.7885588 3.0618862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2740677e-10 2.3987715e-10 3.4281419e-10 ] [ 5.8951091e-10 2.2044421e-10 9.312889e-11 ] [ 4.630063e-10 1.5913541e-10 3.0794679e-10 ] [ 5.394184e-10 3.9838105e-10 2.7128023e-10 ] [ 3.4962076e-10 3.0306635e-10 1.3230763e-10 ] [ 4.1699432e-10 3.3508544e-10 4.8163193e-10 ] [ 3.0373343e-10 4.7885588e-10 3.0618862e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.01e-05 -9.1e-06 5.9e-06 ] [ 4.24e-05 -4.08e-05 -2.49e-05 ] [ -9e-06 4.57e-05 -1.1e-06 ] [ -1.14e-05 2.23e-05 1.68e-05 ] [ -6.86e-05 2.16e-05 3.19e-05 ] [ -5.14e-05 -1.98e-05 -1.41e-05 ] [ 4.8e-05 -2e-05 -1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.026904870208e-14 -1.457980724928e-14 9.45284206272e-15 ] [ 6.793228872192001e-14 -6.536880612864e-14 -3.989419785791999e-14 ] [ -1.44195895872e-14 7.321947157056e-14 -1.76239428288e-15 ] [ -1.826481347712e-14 3.572853864384e-14 2.691656722944e-14 ] [ -1.0990931618688e-13 3.460701500928e-14 5.110943420352001e-14 ] [ -8.235187830912e-14 -3.172309709184e-14 -2.259069035328e-14 ] [ 7.69044777984e-14 -3.2043532416e-14 -2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682643873984e-18 } }