{ "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" [ [ 7.603105899999999 21.162198899999996 -15.983254499999997 ] [ -4.6835230999999995 -38.248433999999996 10.529884599999999 ] [ -2.6814539999999996 23.353795299999998 2.1875193999999993 ] [ -0.6330547999999999 -10.686171599999998 -1.6964484999999998 ] [ -7.799328799999999 -0.7989675999999999 -12.853211499999999 ] [ -1.7352778999999998 0.37983829999999996 19.577314299999998 ] [ 22.790515299999996 22.831401999999997 -23.029987099999996 ] [ -12.860982699999997 -17.993661199999995 21.268183199999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.218151861880754e-08 3.390558060164049e-08 -2.560799689517535e-08 ] [ -7.503831275619243e-09 -6.128074724189114e-08 1.687073506483643e-08 ] [ -4.296162943945834e-09 3.741690514487901e-08 3.504792469101698e-09 ] [ -1.014265608601543e-09 -1.712113444443439e-08 -2.718010147484349e-09 ] [ -1.249590236424326e-08 -1.280087220043058e-09 -2.059311513716009e-08 ] [ -2.780221704876588e-09 6.085680489582821e-10 3.136631552793406e-08 ] [ 3.651443109047948e-08 3.657993880586086e-08 -3.689810721294141e-08 ] [ -2.060556597221823e-08 -2.882902353475239e-08 3.407538617067134e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.196689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.954125012796483e-18 } }