{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.6881871 6.3692124 -1.4606645 ] [ 2.247296 -3.3662812 1.4070545 ] [ 32.7218855 35.5852235 -18.1262795 ] [ -6.8394833 1.147348 -4.0018976 ] [ -1.5508697 -4.6094433 -9.3352202 ] [ -26.5543395 -30.9141613 14.5356632 ] [ -2.2948461 5.5945388 6.4337876 ] [ -2.41783 -9.8064368 10.5475565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.51130382744022e-09 1.020460328426306e-08 -2.340242532013293e-09 ] [ 3.600565140881664e-09 -5.39337708211348e-09 2.254349842664553e-09 ] [ 5.24262403685234e-08 5.701381360736769e-08 -2.90415014762532e-08 ] [ -1.095806033189321e-08 1.838254156666632e-09 -6.411746826380678e-09 ] [ -2.48476719571859e-09 -7.38514235100785e-09 -1.495667167768481e-08 ] [ -4.254474227820324e-08 -4.952994689456706e-08 2.328869993873367e-08 ] [ -3.676748800046027e-09 8.963439343366398e-09 1.030806416083894e-08 ] [ -3.873790730984219e-09 -1.571164390375773e-08 1.689904857009482e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.308998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.651683571555273e-18 } }