{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.11534e-10 0.0 0.0 ] "source-value" [ 5.11534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] "source-value" [ -0.215947 5.44617 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] "source-value" [ 0.311017 -0.240161 5.43903 ] } "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" [ [ 5.62811179019608e-08 5.775985514544661e-08 -4.035277893859653e-08 ] [ 4.602782183056499e-09 1.259965793751383e-09 1.903367881132247e-09 ] [ 7.371821617498442e-08 5.584070438264051e-08 -4.026190091718217e-08 ] [ -1.706451081811526e-08 1.401137597273389e-08 -2.160947477280397e-08 ] [ -3.776378184284796e-08 3.01801891499026e-08 5.040453833438556e-08 ] [ -4.930707618831674e-08 -7.024891050494972e-08 2.37974927224e-08 ] [ -6.382456101009489e-09 -9.249288246747616e-09 2.832875133783905e-08 ] [ -2.408429114949461e-08 -7.95538918529953e-08 -2.20999548695653e-09 ] ] "source-value" [ [ 35.127911100000006 36.05086630000001 -25.186223800000008 ] [ 2.8728307000000006 0.7864088000000002 1.1879888000000003 ] [ 46.01129190000001 34.85302660000001 -25.129502200000008 ] [ -10.650830000000001 8.745213100000003 -13.487573400000004 ] [ -23.570298900000004 18.836992600000002 31.460038600000008 ] [ -30.775056600000006 -43.845921600000004 14.853226800000003 ] [ -3.983615800000001 -5.772951700000001 17.681416000000002 ] [ -15.032232300000004 -49.65363420000001 -1.3793707000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 6.680546188274516e-19 "source-value" 4.169669 } }