{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.569029 2.409456 2.459016 ] [ 1.280031 0.1374919 2.779238 ] [ 3.588101 1.133333 2.932926 ] [ 4.931515 2.722575 2.426382 ] [ 3.330231 3.38172 3.93095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.569029e-10 2.409456e-10 2.459016e-10 ] [ 1.280031e-10 1.374919e-11 2.779238e-10 ] [ 3.588101e-10 1.133333e-10 2.932926e-10 ] [ 4.931515000000001e-10 2.722575e-10 2.426382e-10 ] [ 3.330231e-10 3.38172e-10 3.93095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7137019 3.232076 -1.3484374 ] [ -1.8315318 -2.4931357 0.050524 ] [ 1.8374379 -8.4417878 0.4035652 ] [ 5.4515026 2.8638263 -3.019824 ] [ -1.7437068 4.839021 3.9141722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.950006360800539e-09 5.178356603848781e-09 -2.160434876892338e-09 ] [ -2.934437430211742e-09 -3.994443731021842e-09 8.09483715892992e-11 ] [ 2.943900045551848e-09 -1.352523505091467e-08 6.465827284084762e-10 ] [ 8.734270013950415e-09 4.588355543892167e-09 -4.838291411730739e-09 ] [ -2.793726268489982e-09 7.752966313760236e-09 6.271195188625302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7948648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.088657352405687e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0792851 2.6815452 3.0317322 ] [ 1.6653625 0.4397907 2.6288865 ] [ 4.0126484 0.294645 2.6085811 ] [ 4.8772626 2.4467112 2.9988365 ] [ 3.0643484 3.9218839 3.2604758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0792851e-10 2.6815452e-10 3.0317322e-10 ] [ 1.6653625e-10 4.397907e-11 2.6288865e-10 ] [ 4.0126484e-10 2.94645e-11 2.6085811e-10 ] [ 4.8772626e-10 2.4467112e-10 2.9988365e-10 ] [ 3.0643484e-10 3.9218839e-10 3.2604758e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 2.33e-05 7e-06 ] [ -1.32e-05 -1.56e-05 -3.2e-06 ] [ 9.5e-06 2.65e-05 2.6e-06 ] [ 1.35e-05 7.6e-06 5.4e-06 ] [ 8.8e-06 -4.18e-05 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.980048514688e-14 3.733071526464e-14 1.12152363456e-14 ] [ -2.114873139456e-14 -2.499395528448e-14 -5.126965186560001e-15 ] [ 1.52206778976e-14 4.24576804512e-14 4.16565921408e-15 ] [ 2.16293843808e-14 1.217654231808e-14 8.65175375232e-15 ] [ 1.409915426304e-14 -6.697098274944e-14 -1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }