{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3759827 -1.4702916 0.9465496 ] [ 1.2470934 1.1646952 2.6228161 ] [ -0.4172858 0.1127196 -3.1478698 ] [ 1.620766 0.9166242 -1.196574 ] [ -4.2446662 1.2055571 1.9530167 ] [ -0.5180462 0.9084385 -1.1584476 ] [ 0.0811091 -0.0766191 0.9498953 ] [ 2.6070122 -2.7611239 -0.9693862 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.023906967282317e-10 -2.355666846686474e-09 1.516539652042046e-09 ] [ 1.998063905895615e-09 1.866047435171956e-09 4.202214670699007e-09 ] [ -6.685655584599971e-10 1.805967093138264e-10 -5.043443440434253e-09 ] [ 2.596753414381643e-09 1.468593875398943e-09 -1.917122903651916e-09 ] [ -6.80070500476957e-09 1.931515416572801e-09 3.129077722551788e-09 ] [ -8.300015169724907e-10 1.455478938126009e-09 -1.856037676433378e-09 ] [ 1.299511048247694e-10 -1.227573317381094e-10 1.52190005440642e-09 ] [ 4.176894031392935e-09 -4.423808196158952e-09 -1.553127918962051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.626806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.7080436117251e-18 } }