{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5549381 -0.4498797 1.5673609 ] [ 2.7964514 -0.0565281 0.1726222 ] [ -0.2350851 -1.4239652 1.4675798 ] [ 0.3215206 2.1545352 -2.4492783 ] [ -1.0262918 -1.7755027 0.1085841 ] [ -1.3892645 -0.3131915 0.0632487 ] [ 1.0876075 1.864532 -0.9301173 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.491285470611172e-09 -7.207867375125178e-10 2.511188990336047e-09 ] [ 4.48040905428343e-09 -9.056800023824448e-11 2.765712530710618e-10 ] [ -3.766478511184301e-10 -2.281443752272796e-09 2.35132204471834e-09 ] [ 5.151327884255884e-10 3.451945926130653e-09 -3.924176430092769e-09 ] [ -1.64430072807875e-09 -2.844668916107276e-09 1.739709064106093e-10 ] [ -2.225847102007401e-09 -5.017880991332833e-10 1.01335588435993e-10 ] [ 1.742539309106736e-09 2.987309579133466e-09 -1.49021219266162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.436587 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.274302190034521e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4071618 1.1208714 2.1964698 ] [ 2.8655631 0.9408637 1.7670426 ] [ 1.7151926 2.9699536 3.2597343 ] [ 1.6904056 0.3684042 4.2083479 ] [ 4.2502816 0.3362144 3.8624191 ] [ 3.19232 2.2023769 5.2352422 ] [ 4.2730793 2.7288818 2.989974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.071618e-11 1.1208714e-10 2.1964698e-10 ] [ 2.8655631e-10 9.408637e-11 1.7670426e-10 ] [ 1.7151926e-10 2.9699536e-10 3.2597343e-10 ] [ 1.6904056e-10 3.684042e-11 4.2083479e-10 ] [ 4.2502816e-10 3.362144000000001e-11 3.8624191e-10 ] [ 3.19232e-10 2.2023769e-10 5.2352422e-10 ] [ 4.2730793e-10 2.7288818e-10 2.989974e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.5e-05 6.5e-06 1.6e-06 ] [ 6e-07 5.4e-06 -2.61e-05 ] [ -7.7e-06 3.24e-05 -8.2e-06 ] [ -1.14e-05 -3.32e-05 2.99e-05 ] [ 4.26e-05 1.68e-05 7.2e-06 ] [ -2.79e-05 -6.7e-06 -3.2e-06 ] [ 2.89e-05 -2.11e-05 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005441552e-14 1.04141480352e-14 2.56348259328e-15 ] [ 9.6130597248e-16 8.65175375232e-15 -4.181680980288e-14 ] [ -1.233675998016e-14 5.191052251392001e-14 -1.313784829056e-14 ] [ -1.826481347712e-14 -5.319226381056e-14 4.790508096192e-14 ] [ 6.825272404608e-14 2.691656722944e-14 1.153567166976e-14 ] [ -4.470072772032e-14 -1.073458335936e-14 -5.126965186560001e-15 ] [ 4.630290434112001e-14 -3.380592669888e-14 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }