{ "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" [ [ -2.0400848 2.0177095 -7.7227736 ] [ -7.0264602 -1.1749467 5.7090863 ] [ -1.3362505 -0.4667559 0.2654059 ] [ 2.3013777 -4.3600194 0.116159 ] [ 5.9306911 3.7007513 -5.1557068 ] [ -0.0620698 -2.0090276 4.6375975 ] [ 2.2327966 2.2922888 2.1502318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.268576197938562e-09 3.232727015099823e-09 -1.237324741159206e-08 ] [ -1.125763035217096e-08 -1.882472148935408e-09 9.146964671349514e-09 ] [ -2.140909328270817e-09 -7.478253967616406e-10 4.252271315057405e-10 ] [ 3.687213576948662e-09 -6.985521206466699e-09 1.86107235628806e-10 ] [ 9.502014703891757e-09 5.929257261105124e-09 -8.26035296671491e-09 ] [ -9.944678323705319e-11 -3.218817077781098e-09 7.430250352396814e-09 ] [ 3.577334540994644e-09 3.672651553739899e-09 3.44505114764376e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.468576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.157903776045318e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7316828 1.712465 1.0231871 ] [ 1.6276549 0.9616215 3.7444754 ] [ 1.9862723 3.2659092 2.8511708 ] [ 4.1815777 0.0804425 2.3558876 ] [ 5.2022965 2.39573 1.6342245 ] [ 3.9525077 1.0437334 4.6625421 ] [ 4.2845992 3.3273733 3.7763756 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7316828e-10 1.712465e-10 1.0231871e-10 ] [ 1.6276549e-10 9.616215000000001e-11 3.7444754e-10 ] [ 1.9862723e-10 3.2659092e-10 2.8511708e-10 ] [ 4.1815777e-10 8.04425e-12 2.3558876e-10 ] [ 5.202296500000001e-10 2.39573e-10 1.6342245e-10 ] [ 3.9525077e-10 1.0437334e-10 4.6625421e-10 ] [ 4.2845992e-10 3.3273733e-10 3.7763756e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0172671 0.0840516 -0.030183 ] [ -0.0163895 0.0520371 0.1050435 ] [ 0.0332184 -0.111318 -0.0412289 ] [ 0.0352557 0.0006914 0.0194801 ] [ -0.0309491 0.0067293 0.0323478 ] [ -0.0362679 -0.0387422 -0.0485233 ] [ -0.0021347 0.0065508 -0.0369362 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.76649441569414e-11 1.346655095703144e-10 -4.8358497344022e-11 ] [ -2.6258873942943e-11 8.337262572112139e-11 1.68298241253579e-10 ] [ 5.322174429886559e-11 -1.78351098543612e-10 -6.60559802255226e-11 ] [ 5.648585875531379e-11 1.1077449247476e-12 3.12105610479834e-11 ] [ -4.958592486332939e-11 1.07815272231762e-11 5.18268893213052e-11 ] [ -5.810758194424859e-11 -6.207184758975479e-11 -7.77428974645722e-11 ] [ -3.420166460599799e-12 1.04955386940072e-11 -5.91783165887508e-11 ] ] } "relaxed-potential-energy" { "source-value" -18.345539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939279392393572e-18 } }