{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.21953559999999997 1.7895129999999997 -1.1386881999999996 ] [ -3.0194400999999997 5.258368899999999 -0.4766927999999998 ] [ 4.936577699999999 -5.156857699999999 -0.6040937999999998 ] [ -0.37706229999999996 -1.1570158999999998 -0.2613427999999999 ] [ -10.996187399999998 12.058316199999998 7.596802599999997 ] [ 0.21006349999999996 -1.2642726999999998 1.7331566999999994 ] [ -0.17933519999999997 -1.2724689999999999 -0.26028649999999987 ] [ 9.644919599999998 -10.255582699999998 -6.588855199999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.517348086511703e-10 2.867115914839241e-09 -1.824379627451518e-09 ] [ -4.837676375982623e-09 8.42483578453228e-09 -7.637460657560348e-10 ] [ 7.90926944286546e-09 -8.262196911802979e-09 -9.678649711042688e-10 ] [ -6.041204066222981e-10 -1.85374384014648e-09 -4.187173276241349e-10 ] [ -1.761783451536521e-08 1.931955246102366e-08 1.217141961883044e-08 ] [ 3.365588313562589e-10 -2.025588178944091e-09 2.776823167800547e-09 ] [ -2.873266670937167e-10 -2.038720099289346e-09 -4.170249484456408e-10 ] [ 1.545286481992862e-08 -1.643125496999463e-08 -1.055650984624939e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.609975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.384911661432414e-18 } }