{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 22.1927357 34.9590758 -20.1736246 ] [ 2.9884737 -0.6611607 1.6832727 ] [ 140.3307899 113.6619267 -65.2752145 ] [ -8.335352 -1.3103193 -4.493019 ] [ -7.6348977 -8.9887507 -13.09069 ] [ -120.4147844 -107.9477484 65.2127454 ] [ -2.327466 2.6759369 13.5478215 ] [ -26.7994992 -32.3889605 22.5887084 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.555668258307763e-08 5.601061439299485e-08 -3.232170995720759e-08 ] [ 4.788062733463526e-09 -1.059296224859084e-09 2.696900188590092e-09 ] [ 2.248347126085432e-07 1.821064831341607e-07 -1.04582423451238e-07 ] [ -1.335470621056517e-08 -2.099362965539236e-09 -7.198610057918046e-09 ] [ -1.223245469792034e-08 -1.440156634039114e-08 -2.097359764093746e-08 ] [ -1.929257539538277e-07 -1.729513601793909e-07 1.04482336918871e-07 ] [ -3.729011641629444e-09 4.287323575238394e-09 2.170600304890283e-08 ] [ -4.293753142114169e-08 -5.189283571264896e-08 3.619110079071953e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 27.084727 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.339451673766892e-18 } }