{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7524731999999998 5.457457899999999 -4.051575299999999 ] [ -0.6477753999999999 -12.356837999999998 2.4631973999999994 ] [ -1.4112089999999997 7.593508999999999 1.3964536999999997 ] [ 0.42925319999999995 -3.6048105999999995 0.3684937999999999 ] [ -2.2204699999999997 -0.47821939999999996 -3.6084007999999996 ] [ -0.7915660999999999 -0.18659409999999998 6.294843099999999 ] [ 7.226519699999999 7.888950299999999 -8.225963499999999 ] [ -4.337225699999999 -4.313455099999999 5.362951599999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.807771589618562e-09 8.743811456380261e-09 -6.491339223070745e-09 ] [ -1.037850601409368e-09 -1.979783695061303e-08 3.946477286695345e-09 ] [ -2.261006066862546e-09 1.216614258963439e-08 2.237365470169656e-09 ] [ 6.877394414435864e-10 -5.77554326573202e-09 5.90392151269751e-10 ] [ -3.557585121187776e-09 -7.661919422930035e-10 -5.781295400236016e-09 ] [ -1.268228699237835e-09 -2.989567045992173e-10 1.008545044642419e-08 ] [ 1.157816091309063e-08 1.263949173331315e-08 -1.317944640325414e-08 ] [ -6.949001615672914e-09 -6.910916916090525e-09 8.592395672001952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.854987 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.982207908168793e-18 } }