{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6091762 0.8976898 -1.6925734 ] [ -3.8230301 2.1112023 6.1068306 ] [ 0.3393297 -6.8931373 -10.5288851 ] [ 3.7014602 -3.004587 6.4749347 ] [ 1.3914163 6.8888322 -0.3603069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.578184486387785e-09 1.438257610290628e-09 -2.711801530467966e-09 ] [ -6.125169446834686e-09 3.382518966839188e-09 9.784221214506036e-09 ] [ 5.436661120830778e-10 -1.104402342602444e-08 -1.686913355030947e-08 ] [ 5.930392995261693e-09 -4.81387904655961e-09 1.037398899754666e-08 ] [ 2.229294665660039e-09 1.103712589545423e-08 -5.772752914929235e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.8126881 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.312952977822372e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.6488367 0.8226672 0.5323972 ] [ 0.4445615 1.9942061 2.0744319 ] [ 1.5147408 0.9963212 0.0479666 ] [ 2.6129868 2.1699763 1.5915208 ] [ 4.5616677 2.9759327 2.2237484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.488367000000001e-11 8.226672000000001e-11 5.323972e-11 ] [ 4.445615e-11 1.9942061e-10 2.0744319e-10 ] [ 1.5147408e-10 9.963212e-11 4.79666e-12 ] [ 2.6129868e-10 2.1699763e-10 1.5915208e-10 ] [ 4.5616677e-10 2.9759327e-10 2.2237484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.28e-05 -7.52e-05 -5.9e-06 ] [ -1.67e-05 4.71e-05 0.0001201 ] [ 7.57e-05 -3e-05 -3.99e-05 ] [ -0.0001688 0.0001109 -0.0001754 ] [ 0.0001426 -5.28e-05 0.0001012 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.255139316223999e-14 -1.2048368188416e-13 -9.45284206272e-15 ] [ -2.675634956736e-14 7.546251883968001e-14 1.9242141215808e-13 ] [ 1.2128477019456e-13 -4.8065298624e-14 -6.392684716992e-14 ] [ -2.7044741359104e-13 1.7768138724672e-13 -2.8102177928832e-13 ] [ 2.2847038612608e-13 -8.459492557824e-14 1.6214027402496e-13 ] ] } "relaxed-potential-energy" { "source-value" -10.169748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.629373248502756e-18 } }