{ "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" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -30.6208476 -11.3477174 26.8570894 ] [ -2.2273474 1.4427709 2.004969 ] [ 21.0224525 -8.6739736 -31.3064714 ] [ 5.3047939 -1.4678687 2.8723655 ] [ 6.5209486 20.0467888 -0.4279524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.906000653799498e-08 -1.818104766751523e-08 4.302980109392907e-08 ] [ -3.568603960080651e-09 2.31157382419515e-09 3.212314483694346e-09 ] [ 3.368168218487488e-08 -1.389723782585286e-08 -5.015849697006926e-08 ] [ 8.499216834765731e-09 -2.351784932919955e-09 4.602036888407726e-09 ] [ 1.044771147843501e-08 3.21184966020929e-08 -6.856553357442216e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 4.7859315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.66790762122457e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.476113 0.0785905 1.9985889 ] [ -0.0948532 2.3678529 2.4347504 ] [ 1.9265661 0.4954243 -0.0816308 ] [ 3.0199086 0.3192328 2.2743994 ] [ 2.0800039 2.5609066 1.4399196 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.76113e-11 7.85905e-12 1.9985889e-10 ] [ -9.48532e-12 2.3678529e-10 2.4347504e-10 ] [ 1.9265661e-10 4.954243e-11 -8.16308e-12 ] [ 3.0199086e-10 3.192328e-11 2.2743994e-10 ] [ 2.0800039e-10 2.5609066e-10 1.4399196e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 1.1e-06 -8e-07 ] [ 1.1e-06 -8e-07 -8e-07 ] [ -1e-07 -9e-07 1.8e-06 ] [ -4e-07 1.3e-06 -1.8e-06 ] [ -4e-07 -6e-07 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.602176634e-16 1.7623942974e-15 -1.2817413072e-15 ] [ 1.7623942974e-15 -1.2817413072e-15 -1.2817413072e-15 ] [ -1.602176634e-16 -1.4419589706e-15 2.8839179412e-15 ] [ -6.408706536e-16 2.0828296242e-15 -2.8839179412e-15 ] [ -6.408706536e-16 -9.613059803999998e-16 2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }