{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] "source-value" [ 5.4484 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] "source-value" [ 0.00476084 5.4399 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] "source-value" [ -0.0697031 -0.0639637 5.39979 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.414129471252028e-09 1.830399630855829e-09 1.57720349381159e-09 ] [ 1.725867059190691e-09 -1.324301035741945e-09 -1.03067172862455e-09 ] [ 1.586592088591816e-09 3.981312451655427e-09 -2.814764609915368e-09 ] [ 1.123470439371934e-09 -9.324110375591962e-10 -1.205431066150255e-09 ] [ 2.170157845933325e-10 2.120799430558677e-09 5.286445847394433e-10 ] [ -2.848157655699068e-09 -4.918596509406787e-09 1.488477996687266e-09 ] [ -3.266108979231074e-09 -2.025946248730441e-09 -4.862162241204038e-10 ] [ 2.875450734434396e-09 1.268743318368436e-09 1.942757553572277e-09 ] ] "source-value" [ [ -0.8826302 1.1424456 0.984413 ] [ 1.0772015 -0.8265637 -0.6432947 ] [ 0.9902729 2.4849398 -1.7568379 ] [ 0.7012151 -0.5819652 -0.7523709 ] [ 0.1354506 1.3236989 0.329954 ] [ -1.7776802 -3.0699465 0.9290349 ] [ -2.0385449 -1.2644962 -0.3034723 ] [ 1.7947152 0.7918873 1.2125739 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.02537e-13 -3.03023e-12 -4.91559e-12 ] [ 1.28054e-10 1.44048e-10 1.35481e-10 ] [ -5.35965e-12 2.57981e-10 2.82719e-10 ] [ 1.28029e-10 4.0563e-10 4.12138e-10 ] [ 2.62772e-10 -7.771450000000001e-12 2.68834e-10 ] [ 4.08246e-10 1.48548e-10 4.03991e-10 ] [ 2.84369e-10 2.84518e-10 1.89163e-12 ] [ 4.03071e-10 4.03913e-10 1.36727e-10 ] ] "source-value" [ [ -0.00902537 -0.0303023 -0.0491559 ] [ 1.28054 1.44048 1.35481 ] [ -0.0535965 2.57981 2.82719 ] [ 1.28029 4.0563 4.12138 ] [ 2.62772 -0.0777145 2.68834 ] [ 4.08246 1.48548 4.03991 ] [ 2.84369 2.84518 0.0189163 ] [ 4.03071 4.03913 1.36727 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.599786392873485e-18 "source-value" -41.192627 } }