{ "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" [ [ 0.9865114 1.002248 2.003773 ] [ 2.302262 0.4465448 0.4828732 ] [ 2.913212 0.9916658 2.458282 ] [ 2.765138 2.782808 0.4747325 ] [ 1.558206 2.989621 2.793764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.865114e-11 1.002248e-10 2.003773e-10 ] [ 2.302262e-10 4.465448e-11 4.828732e-11 ] [ 2.913212e-10 9.916658000000001e-11 2.458282e-10 ] [ 2.765138e-10 2.782808e-10 4.747325e-11 ] [ 1.558206e-10 2.989621e-10 2.793764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -56.2311721 -2.1633598 5.4503847 ] [ 6.7902457 -14.049463 -40.4207774 ] [ 47.4223395 3.6131815 33.361721 ] [ 0.894104 3.2085505 -1.049146 ] [ 1.1244828 9.3910908 2.6578177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.009226929880125e-08 -3.466084493938564e-09 8.732478940706022e-09 ] [ 1.087917291002773e-08 -2.250972115339463e-08 -6.476122454484101e-08 ] [ 7.597896365054035e-08 5.788954926007076e-09 5.34513694158524e-08 ] [ 1.432512525363763e-09 5.14066459775615e-09 -1.680917193005837e-09 ] [ 1.801620052651722e-09 1.504618612356997e-08 4.258293381288428e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.6099805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.783826358643895e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5626847 0.7171369 2.2146933 ] [ 2.1628487 0.4579763 0.1743612 ] [ 3.2645296 1.0422674 2.6282658 ] [ 3.0677187 2.8681735 0.5778867 ] [ 1.4675478 3.1273336 2.6182177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.626847000000001e-11 7.171369e-11 2.2146933e-10 ] [ 2.1628487e-10 4.579763e-11 1.743612e-11 ] [ 3.2645296e-10 1.0422674e-10 2.6282658e-10 ] [ 3.0677187e-10 2.8681735e-10 5.778867e-11 ] [ 1.4675478e-10 3.1273336e-10 2.6182177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.76e-05 -7.9e-06 1.72e-05 ] [ 1.78e-05 1.08e-05 -2.28e-05 ] [ 2.5e-05 -6.6e-06 1.51e-05 ] [ -3e-06 -6.8e-06 -1.11e-05 ] [ -2.2e-06 1.06e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.024184094208e-14 -1.265719530432e-14 2.755743787776e-14 ] [ 2.851874385024e-14 1.730350750464e-14 -3.652962695424e-14 ] [ 4.005441552e-14 -1.057436569728e-14 2.419286697408e-14 ] [ -4.8065298624e-15 -1.089480102144e-14 -1.778416049088e-14 ] [ -3.52478856576e-15 1.698307218048e-14 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }