{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5850174 -1.7835672 2.8553701 ] [ -2.02042 1.2900798 -0.6178162 ] [ 0.3939416 0.3968143 1.1325339 ] [ -1.923526 0.6017366 -3.1150251 ] [ 0.3534672 0.5821042 1.7648327 ] [ -1.9593679 1.7450756 -2.4403502 ] [ 1.4114953 -1.7870388 0.2924648 ] [ 2.1593924 -1.0452046 0.12799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.539477821841202e-09 -2.857589669465718e-09 4.574807217951359e-09 ] [ -3.237069688196736e-09 2.06693569452634e-09 -9.89850671591497e-10 ] [ 6.311640214805453e-10 6.357665942591174e-10 1.814519336843445e-09 ] [ -3.081828386700941e-09 9.640883123996812e-10 -4.990820388425183e-09 ] [ 5.663168840596378e-10 9.326337401094873e-10 2.82757369156334e-09 ] [ -3.139253440925992e-09 2.795919327848532e-09 -3.909872037004604e-09 ] [ 2.261464770029082e-09 -2.863151785822487e-09 4.685802649669478e-10 ] [ 3.459728018413202e-09 -1.674602374072615e-09 2.05062585696192e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.509601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.689265253613631e-18 } }