{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0733743 -8.1183523 0.593218 ] [ 0.9121533 8.473727 0.4567321 ] [ -5.9074162 4.8015809 0.1030732 ] [ -0.2567256 -5.5959099 -1.3317568 ] [ 4.1846084 -5.3431097 -2.4432017 ] [ -1.9246687 11.0319723 -2.6639619 ] [ 1.9186745 -5.2499083 5.2858971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.719735208827565e-09 -1.300703425447791e-08 9.504400106377345e-10 ] [ 1.461430691845569e-09 1.357640729044172e-08 7.317654925888877e-10 ] [ -9.464724124975177e-09 7.692980660859824e-09 1.651414712710426e-10 ] [ -4.113197542808525e-10 -8.965636013883266e-09 -2.133709609551421e-09 ] [ 6.704481745683295e-09 -8.560605443709702e-09 -3.914440643638815e-09 ] [ -3.083659193925529e-09 1.76751681003732e-08 -4.268137474881947e-09 ] [ 3.07405542682513e-09 -8.411280339603873e-09 8.46894075357452e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0188046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.12453646360835e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0493343 0.7388567 2.5838936 ] [ 4.2646075 2.6569612 0.7902564 ] [ 3.2100465 1.781935 4.1352853 ] [ 2.73696 4.2288239 1.0142495 ] [ 5.9672044 2.0754602 2.0459808 ] [ 2.7895564 5.2528026 2.973826 ] [ 3.5854549 3.9139103 4.5426336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0493343e-10 7.388567000000001e-11 2.5838936e-10 ] [ 4.2646075e-10 2.6569612e-10 7.902564e-11 ] [ 3.2100465e-10 1.781935e-10 4.1352853e-10 ] [ 2.73696e-10 4.2288239e-10 1.0142495e-10 ] [ 5.9672044e-10 2.0754602e-10 2.0459808e-10 ] [ 2.7895564e-10 5.2528026e-10 2.973826e-10 ] [ 3.5854549e-10 3.9139103e-10 4.542633600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0052372 -0.2628894 0.0210786 ] [ -0.1717155 0.0880721 -0.2230361 ] [ 0.0322515 -0.0679732 0.1411049 ] [ 0.0902182 0.4978697 0.5357716 ] [ 0.2649421 -0.2525885 -0.0130946 ] [ 0.1415547 -0.4977832 -0.1780316 ] [ -0.3624881 0.4952925 -0.2837928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.39091939845376e-12 -4.211952505361395e-10 3.377164011919488e-11 ] [ -2.751185595289824e-10 1.411070595647597e-10 -3.573432250144109e-10 ] [ 5.16725992857312e-11 -1.089050718809626e-10 2.260749718603219e-10 ] [ 1.445454908106586e-10 7.976751935447098e-10 8.584007316086093e-10 ] [ 4.244840384856557e-10 -4.046913893829408e-10 -2.097986197872768e-11 ] [ 2.267956309043578e-10 -7.975366052670106e-10 -2.852380672836173e-10 ] [ -5.807699591382124e-10 7.935460639575841e-10 -4.546861893113703e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.255854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.444257260913817e-18 } }