{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.5603745 -11.0381496 -10.613452 ] [ -7.8290681 -20.356255 0.7555704 ] [ -43.090227 31.2059004 19.2065703 ] [ 21.831488 -2.1920649 -50.5275151 ] [ 33.6533278 -46.3284871 23.8447382 ] [ 5.9948537 48.7090561 17.3340882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.691958513079249e-08 -1.768506522601287e-08 -1.7004624660383e-08 ] [ -1.254354987247108e-08 -3.26143158480431e-08 1.210557230248504e-09 ] [ -6.903815428436492e-08 4.999736405189337e-08 3.077231790041164e-08 ] [ 3.497789967087575e-08 -3.51207513405629e-09 -8.095400340033897e-08 ] [ 5.39185750132787e-08 -7.422641890865438e-08 3.820348207313667e-08 ] [ 9.604814443256377e-09 7.804051090465563e-08 2.777227085692516e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.459316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.438161439355938e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9996722 -0.2012908 0.242328 ] [ -0.3584162 0.1096072 1.9471551 ] [ 0.2496715 1.9175679 3.0756662 ] [ 2.4448264 1.4707077 0.1053823 ] [ 3.5091085 0.4978739 3.3060132 ] [ 2.3123816 2.0305751 2.2552789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.996722e-11 -2.012908e-11 2.42328e-11 ] [ -3.584162e-11 1.096072e-11 1.9471551e-10 ] [ 2.496715e-11 1.9175679e-10 3.0756662e-10 ] [ 2.4448264e-10 1.4707077e-10 1.053823e-11 ] [ 3.5091085e-10 4.978739e-11 3.3060132e-10 ] [ 2.3123816e-10 2.0305751e-10 2.2552789e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4026097 0.0934315 -0.8071657 ] [ -0.5188961 0.4570408 0.7380671 ] [ -0.0702512 -0.3666075 -0.3261386 ] [ -0.1898247 -0.1582522 0.1739811 ] [ 0.2462797 0.3701939 0.1458789 ] [ 0.1300826 -0.3958065 0.0753772 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.450518486473018e-10 1.496937649462752e-10 -1.293222013651667e-09 ] [ -8.313632000442988e-10 7.322600845117287e-10 1.182513852201656e-09 ] [ -1.12554830223145e-10 -5.873699655099359e-10 -5.225316400604429e-10 ] [ -3.041326963903738e-10 -2.535479750301658e-10 2.787484508810669e-10 ] [ 3.945835775176377e-10 5.931160117427731e-10 2.337237630480211e-10 ] [ 2.084153004928781e-10 -6.341519206606753e-10 1.207675875813658e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.716233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.037365121724545e-18 } }