{ "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" [ 5.4484 0 0 ] "si-unit" "m" "si-value" [ 5.448400000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00476084 5.4399 0 ] "si-unit" "m" "si-value" [ 4.76084e-13 5.4399e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0697031 -0.0639637 5.39979 ] "si-unit" "m" "si-value" [ -6.970310000000001e-12 -6.39637e-12 5.39979e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8702983 1.1220731 1.0975354 ] [ 1.0335077 -1.0042637 -0.5003095 ] [ 1.2735281 2.8416133 -2.0370558 ] [ 0.7187221 -0.5012835 -0.8550843 ] [ 0.2187396 1.174144 0.236776 ] [ -1.9705189 -3.276224 1.2726288 ] [ -2.0978197 -1.3733628 -0.3906948 ] [ 1.6941394 1.0173036 1.1762042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.394371589381985e-09 1.79775928764858e-09 1.758445558380376e-09 ] [ 1.65586187435678e-09 -1.609007821258105e-09 -8.015841840641375e-10 ] [ 2.040416947751845e-09 4.552766394614337e-09 -3.263723178025041e-09 ] [ 1.15151974547228e-09 -8.031447040927967e-10 -1.369996074273133e-09 ] [ 3.504594731631437e-10 1.881186066252595e-09 3.793569715665408e-10 ] [ -3.157119312424533e-09 -5.249089497303859e-09 2.038976110316759e-09 ] [ -3.36107767799367e-09 -2.200369770036426e-09 -6.259620744281319e-10 ] [ 2.71431053905614e-09 1.629900044175675e-09 1.884486870526767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.798727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.735588345380173e-18 } }