{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0736432 -1.20691 -2.9607305 ] [ -2.5940867 -1.4555412 0.5172325 ] [ -1.6673496 1.6121083 0.8867552 ] [ -1.0091902 -3.4521299 -0.2440122 ] [ 2.4214732 2.7987772 -1.2942258 ] [ 1.0271597 0.39144 1.4571314 ] [ 1.7483504 1.3122557 1.6378495 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.179894133208986e-10 -1.933682985409728e-09 -4.743613187589495e-09 ] [ -4.156185063068223e-09 -2.332034081251177e-09 8.286978190179361e-10 ] [ -2.671388547820232e-09 2.582882228457633e-09 1.420738449812828e-09 ] [ -1.616900944380476e-09 -5.530921817744642e-09 -3.909506420299738e-10 ] [ 3.879627748933762e-09 4.484135396668086e-09 -2.073578318796176e-09 ] [ 1.645691257167942e-09 6.271560164459521e-10 2.334581862513573e-09 ] [ 2.801166135846329e-09 2.102465403051539e-09 2.62412417728897e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.541659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.291136580224591e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9207621 1.9985196 0.8783496 ] [ 1.8586706 0.8932969 3.8149718 ] [ 2.0183428 2.9636689 2.7835729 ] [ 3.8170672 0.2320631 2.4060214 ] [ 5.1072922 2.2802123 1.7751278 ] [ 4.0451999 1.1749262 4.7117528 ] [ 4.1992562 3.2445878 3.6780667 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9207621e-10 1.9985196e-10 8.783496e-11 ] [ 1.8586706e-10 8.932968999999999e-11 3.8149718e-10 ] [ 2.0183428e-10 2.9636689e-10 2.7835729e-10 ] [ 3.8170672e-10 2.320631e-11 2.4060214e-10 ] [ 5.1072922e-10 2.2802123e-10 1.7751278e-10 ] [ 4.0451999e-10 1.1749262e-10 4.7117528e-10 ] [ 4.1992562e-10 3.2445878e-10 3.6780667e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 3.28e-05 2.25e-05 ] [ -5.09e-05 -1.84e-05 7.1e-06 ] [ 5e-06 -1.83e-05 -5.12e-05 ] [ -7.8e-06 -1.66e-05 -3.34e-05 ] [ -3e-06 -1.74e-05 2.7e-06 ] [ 5.86e-05 2.06e-05 3.39e-05 ] [ 2.2e-06 1.73e-05 1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 5.255139316223999e-14 3.604897396800001e-14 ] [ -8.155078999872e-14 -2.948004982272e-14 1.137545400768e-14 ] [ 8.010883104e-15 -2.931983216064e-14 -8.203144298496001e-14 ] [ -1.249697764224e-14 -2.659613190528e-14 -5.351269913472e-14 ] [ -4.8065298624e-15 -2.787787320192e-14 4.32587687616e-15 ] [ 9.388754997888e-14 3.300483838848e-14 5.431378744512e-14 ] [ 3.52478856576e-15 2.771765553984e-14 2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }