{ "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" [ [ 2.1907452999999997 9.527547499999999 -2.0007257999999997 ] [ -1.8944859999999997 -13.578548399999999 -1.6523679999999998 ] [ -1.9249298999999997 7.964603599999999 0.5426797999999999 ] [ -0.5333899999999999 -4.458738499999999 1.2992935999999997 ] [ -1.0179648999999997 0.8675749999999999 -4.267434899999999 ] [ 0.3399983999999999 -1.3143401999999997 7.007020699999999 ] [ 6.006168899999999 6.218054099999999 -6.284668199999999 ] [ -3.1661416999999994 -5.226153199999999 5.356202799999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.509960901787481e-09 1.526481385806149e-08 -3.205516101391376e-09 ] [ -3.035301177632908e-09 -2.175523279088124e-08 -2.647385378558054e-09 ] [ -3.084077682458882e-09 1.276070168185951e-08 8.694688881404198e-10 ] [ -8.545849877685119e-10 -7.14368658296086e-09 2.081697829475067e-09 ] [ -1.63095956357501e-09 1.39000838179056e-09 -6.837184427565984e-09 ] [ 5.447374875894066e-10 -2.105805140217596e-09 1.122648474700165e-08 ] [ 9.622943392156051e-09 9.962420905889584e-09 -1.006914845952522e-08 ] [ -5.072718209879967e-09 -8.373220473759105e-09 8.581582902423497e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.152306 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.869626001160757e-18 } }