{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40534e-10 0.0 0.0 ] "source-value" [ 5.40534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] "source-value" [ 0.0241155 5.39517 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] "source-value" [ -0.0520891 0.00914509 5.32386 ] } "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" [ [ 1.198990476352301e-10 8.345449625955457e-11 1.288681925761306e-10 ] [ 2.211788803248192e-10 -1.912689665147386e-10 7.491553574133888e-11 ] [ 1.041036689837491e-10 1.401840456135168e-10 2.032056629926848e-11 ] [ -1.832558403634694e-10 3.02843424863616e-11 -6.856607774957607e-10 ] [ -4.18176108911904e-11 -1.211029231480992e-10 -1.420864701330547e-10 ] [ -4.842330498991776e-10 3.757729024658112e-10 1.041840982501133e-10 ] [ 3.809016300466541e-10 -2.880196061149882e-10 3.134536793172019e-10 ] [ -1.16776725836615e-10 -2.930397061209408e-11 1.860051754447622e-10 ] ] "source-value" [ [ 0.0748351 0.0520882 0.0804332 ] [ 0.138049 -0.1193807 0.0467586 ] [ 0.0649764 0.087496 0.0126831 ] [ -0.1143793 0.018902 -0.4279558 ] [ -0.0261005 -0.0755865 -0.0886834 ] [ -0.3022345 0.234539 0.0650266 ] [ 0.2377401 -0.1797677 0.1956424 ] [ -0.0728863 -0.0182901 0.1160953 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.118311830631059e-18 "source-value" 31.94599 } }