{ "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" [ [ 1.565557752607982e-09 6.20324655770185e-10 2.51213283258336e-11 ] [ -1.983721556803438e-08 -1.516251760452367e-08 1.004285305617166e-08 ] [ -1.412808957281165e-10 -3.278206374024086e-09 -6.430044111218152e-09 ] [ 3.318703631162075e-09 6.280636174581028e-09 5.924084585034955e-09 ] [ 3.350918276041177e-09 -5.411962606915173e-09 6.449332555338302e-09 ] [ -1.864541373774428e-09 -3.567779931243588e-09 3.128564519600325e-09 ] [ 9.788857753428969e-09 1.314745718462559e-08 -2.142795328863252e-08 ] [ 3.819000424296718e-09 7.37204834151205e-09 2.288041515597251e-09 ] ] "source-value" [ [ 0.9771443 0.3871762 0.0156795 ] [ -12.3814162 -9.4636992 6.2682559 ] [ -0.0881806 -2.0460955 -4.0133179 ] [ 2.0713719 3.9200648 3.6975228 ] [ 2.0914787 -3.3778814 4.0253568 ] [ -1.1637552 -2.2268331 1.9526964 ] [ 6.1097245 8.2059974 -13.3742766 ] [ 2.3836326 4.6012707 1.4280832 ] ] } "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" -4.653220625691228e-18 "source-value" -29.043119 } }