{ "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" [ [ 26.756406 31.6838846 -11.3872922 ] [ 2.2141025 -5.1381944 -4.0165493 ] [ 54.5163136 50.0314664 -23.4396685 ] [ 0.6143312 -0.2345288 -2.2322005 ] [ -4.7393788 -4.7754421 -4.8672375 ] [ -48.3764784 -50.5513597 19.505799 ] [ -5.8277828 9.3187198 14.0885222 ] [ -25.1575133 -30.3345458 12.3486268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.286848814983284e-08 5.076317916224515e-08 -1.82444533370582e-08 ] [ 3.547383261554832e-09 -8.232294940805483e-09 -6.435221384750606e-09 ] [ 8.734476310212108e-08 8.015924577042073e-08 -3.75544888700022e-08 ] [ 9.84267086068009e-10 -3.75756560264279e-10 -3.57637945403807e-09 ] [ -7.59332191047516e-09 -7.651101686604056e-09 -7.79817413038104e-09 ] [ -7.75076626891162e-08 -8.099220666099131e-08 3.125173512782402e-08 ] [ -9.337137353260362e-09 1.493023499934605e-08 2.257230089046178e-08 ] [ -4.030677964672506e-08 -4.860130008334683e-08 1.978468115794432e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.5957676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.056758464495013e-18 } }