{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "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" [ [ 3.704083985734514e-09 8.802819781541991e-10 1.225723914793983e-09 ] [ -3.126831477193138e-08 -2.352312318044124e-08 1.779413836622136e-08 ] [ -7.57356899535264e-11 -8.526948359218895e-09 -1.293205975863692e-08 ] [ 9.411601395629959e-09 1.213797696551137e-08 9.12205651737197e-09 ] [ 1.567295633588563e-09 -1.039670625985298e-08 1.018393720461075e-08 ] [ -4.311614620316962e-09 -1.6976586569519e-09 6.205511875226e-09 ] [ 1.679861182373301e-08 2.278877866414585e-08 -3.495234719682126e-08 ] [ 4.174072563951145e-09 8.337399169088923e-09 3.35303907723413e-09 ] ] "source-value" [ [ 2.3119074 0.5494288 0.7650367 ] [ -19.5161472 -14.6819788 11.1062277 ] [ -0.0472705 -5.3221026 -8.0715569 ] [ 5.8742596 7.5759294 5.6935399 ] [ 0.978229 -6.4891137 6.3563137 ] [ -2.6910982 -1.0595952 3.8731759 ] [ 10.4848689 14.223637 -21.8155394 ] [ 2.6052512 5.2037953 2.0928024 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.342451873955162e-18 "source-value" -27.103453 } }