{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9030779 0.5692265 -2.0801026 ] [ -0.2390606 0.7268981 -0.0829952 ] [ -0.7484301 -0.8587696 -1.3436512 ] [ -0.8807407 0.0320017 3.1674827 ] [ 3.8667979 1.2521319 -0.8832404 ] [ 0.4366069 -2.228055 -1.0017343 ] [ -1.139774 0.8695942 0.2213268 ] [ -2.1984772 -0.3630277 2.0029142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44689029814116e-09 9.120013902398111e-10 -3.332691754585294e-09 ] [ -3.830173042744205e-10 1.16461914152394e-09 -1.329729690786202e-10 ] [ -1.199117208523006e-09 -1.375900575773768e-09 -2.152766539149865e-09 ] [ -1.411102158527027e-09 5.127237556585536e-11 5.07486672872846e-09 ] [ 6.195293192738536e-09 2.006136456337883e-09 -1.41510711942604e-09 ] [ 6.995213676599635e-10 -3.569737630856544e-09 -1.604955275713454e-09 ] [ -1.826119255795699e-09 1.393243496823279e-09 3.546046245164774e-10 ] [ -3.522348771201846e-09 -5.816344936427961e-10 3.209022304708336e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.44088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.483786943421783e-17 } }