{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.41643e-10 0.0 0.0 ] "source-value" [ 5.41643 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] "source-value" [ 0.0584288 5.39313 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] "source-value" [ -0.0447548 0.203328 5.3475 ] } "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" [ [ 2.018260206936308e-08 -1.930340524543415e-08 1.994380084838608e-08 ] [ -4.319775146717346e-09 2.826853673389953e-09 -3.561450852938442e-09 ] [ -7.630029699469632e-11 -2.855049899086425e-10 8.142732626832116e-10 ] [ -7.899197134158316e-09 8.16972577810403e-09 -8.936175991268308e-09 ] [ 1.098434186624665e-09 -9.439351735572864e-11 6.538913935213458e-09 ] [ -2.109939012247519e-08 1.912318056301957e-08 -1.885634589749077e-08 ] [ 8.280729060487592e-09 -9.120914485876662e-09 6.415233270100153e-09 ] [ 3.832897223652551e-09 -1.315541775938369e-09 -2.358248574685382e-09 ] ] "source-value" [ [ 12.5969895 -12.048238 12.4479415 ] [ -2.6961916 1.7643833 -2.2228828 ] [ -0.0476229 -0.1781982 0.5082294 ] [ -4.9302911 5.0991418 -5.5775224 ] [ 0.6855887 -0.0589158 4.0812691 ] [ -13.1692036 11.9357506 -11.7692055 ] [ 5.1684246 -5.6928271 4.0040737 ] [ 2.3923063 -0.8210966 -1.471903 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.003320330660225e-17 "source-value" -62.62233 } }