{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5854257 -1.4516362 6.2860165 ] [ -0.7411399 -0.0537562 0.1199355 ] [ -3.0966578 -3.7629732 -1.743604 ] [ 2.5065254 2.6444513 -1.2343873 ] [ -0.4522156 -0.4249145 -0.2845665 ] [ 0.0252571 0.9540811 -5.6377197 ] [ 1.5638422 0.7472144 2.9174957 ] [ -0.3910371 1.3475332 -0.4231703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.379553697554746e-10 -2.325777581546953e-09 1.007130867426304e-08 ] [ -1.18743702052205e-09 -8.612692686304896e-11 1.921578541039584e-10 ] [ -4.961392729777963e-09 -6.028947685736962e-09 -2.793561564733363e-09 ] [ 4.015896395321368e-09 4.236878047704167e-09 -1.977706473072436e-09 ] [ -7.245292618810445e-10 -6.807880777389217e-10 -4.559257933628832e-10 ] [ 4.046633512920768e-11 1.528606432767147e-09 -9.03262269796359e-09 ] [ 2.505551411460438e-09 1.197169442405099e-09 4.67434340182453e-09 ] [ -6.265104994854317e-10 2.15898618879181e-09 -6.779935612769222e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.080967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.620590516245632e-18 } }