{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5637432 -0.2456741 0.3875597 ] [ -2.1907815 -3.1357809 3.3240836 ] [ 1.051689 3.2112127 -1.9780128 ] [ 0.9480747 -0.8115237 0.2113604 ] [ -0.1452311 0.0467029 -0.6315544 ] [ -1.739166 0.3791371 1.5379121 ] [ 1.5116717 0.555926 -2.8513486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.032161751749785e-10 -3.936132993560813e-10 6.209390905042618e-10 ] [ -3.510018900581155e-09 -5.024074845931183e-09 5.325769029504699e-09 ] [ 1.684991528152531e-09 5.144929912356044e-09 -3.169125863803146e-09 ] [ 1.518983119111974e-09 -1.300204299365113e-09 3.386366914429364e-10 ] [ -2.326858730330669e-10 7.482629450356032e-11 -1.011861694443371e-09 ] [ -2.786451104890253e-09 6.074445976979117e-10 2.464006811465432e-09 ] [ 2.421965056064991e-09 8.906916400948608e-10 -4.568364064670811e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.189625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.07451685369192e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9931935 1.3143754 1.5135694 ] [ 1.6914826 1.5743763 3.5046484 ] [ 2.8929223 3.4680389 2.6697427 ] [ 5.0590539 2.438537 2.1869773 ] [ 4.4863701 3.0952522 4.4157115 ] [ 3.5586397 0.9432009 4.8423141 ] [ 4.6220219 0.1815839 2.8515466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9931935e-10 1.3143754e-10 1.5135694e-10 ] [ 1.6914826e-10 1.5743763e-10 3.504648400000001e-10 ] [ 2.8929223e-10 3.4680389e-10 2.6697427e-10 ] [ 5.0590539e-10 2.438537e-10 2.1869773e-10 ] [ 4.4863701e-10 3.0952522e-10 4.4157115e-10 ] [ 3.5586397e-10 9.432009e-11 4.842314100000001e-10 ] [ 4.6220219e-10 1.815839e-11 2.8515466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 -5.8e-06 -2.28e-05 ] [ -9.8e-06 1.61e-05 1.28e-05 ] [ -1.7e-06 -2.02e-05 -1.21e-05 ] [ -1.24e-05 3.4e-06 4.34e-05 ] [ 1.84e-05 8.3e-06 -1.41e-05 ] [ -1.6e-06 -7.1e-06 1.29e-05 ] [ 7.2e-06 5.2e-06 -2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 -9.292624400640001e-15 -3.652962695424e-14 ] [ -1.570133088384e-14 2.579504359488e-14 2.050786074624e-14 ] [ -2.72370025536e-15 -3.236396774016e-14 -1.938633711168e-14 ] [ -1.986699009792e-14 5.44740051072e-15 6.953446534272e-14 ] [ 2.948004982272e-14 1.329806595264e-14 -2.259069035328e-14 ] [ -2.56348259328e-15 -1.137545400768e-14 2.066807840832e-14 ] [ 1.153567166976e-14 8.33131842816e-15 -3.2043532416e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }