{ "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" [ [ 0.1135843 1.090818 0.6070393 ] [ 0.463669 0.0470556 2.807524 ] [ 1.463077 2.472969 2.736641 ] [ 1.89694 0.8949072 0.1877689 ] [ 2.774068 0.9895664 2.110174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135843e-11 1.090818e-10 6.070393e-11 ] [ 4.63669e-11 4.705560000000001e-12 2.807524e-10 ] [ 1.463077e-10 2.472969e-10 2.736641e-10 ] [ 1.89694e-10 8.949072000000001e-11 1.877689e-11 ] [ 2.774068e-10 9.895664e-11 2.110174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3623468 1.3544481 4.00885 ] [ 1.7927015 2.1817722 -1.5450445 ] [ -2.9940663 -0.600075 -1.2990151 ] [ 6.1031373 -0.5752824 -2.961976 ] [ 1.4605743 -2.3608629 1.7971857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.019360329638169e-08 2.17006507990698e-09 6.42288574629408e-09 ] [ 2.872224431373091e-09 3.495584410751382e-09 -2.475434175995626e-09 ] [ -4.79702302698516e-09 -9.6142613572656e-10 -2.081251623286174e-09 ] [ 9.778303895592437e-09 -9.217040116377138e-10 -4.745608698570701e-09 ] [ 2.340097996401326e-09 -3.782519343294089e-09 2.879408911776082e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.740716 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.682158379065249e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3181401 1.3733516 0.8906155 ] [ 0.7994634 -0.0053187 2.4385159 ] [ 1.2988386 2.4307723 2.2370901 ] [ 1.9285001 0.8717312 0.3938822 ] [ 3.0026762 0.8247799 2.4890435 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.181401e-11 1.3733516e-10 8.906155e-11 ] [ 7.994634000000001e-11 -5.3187e-13 2.4385159e-10 ] [ 1.2988386e-10 2.4307723e-10 2.2370901e-10 ] [ 1.9285001e-10 8.717312000000001e-11 3.938822000000001e-11 ] [ 3.0026762e-10 8.247799e-11 2.4890435e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -9.1e-06 8e-07 ] [ -2.7e-06 5.7e-06 2.9e-06 ] [ 3.5e-06 0.0 -2.2e-06 ] [ 2.2e-06 9.5e-06 -1.2e-06 ] [ -2.3e-06 -6e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 -1.457980724928e-14 1.28174129664e-15 ] [ -4.32587687616e-15 9.13240673856e-15 4.646312200320001e-15 ] [ 5.6076181728e-15 0.0 -3.52478856576e-15 ] [ 3.52478856576e-15 1.52206778976e-14 -1.92261194496e-15 ] [ -3.68500622784e-15 -9.6130597248e-15 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }