{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7926455 -1.338998 4.8760089 ] [ -0.5901412 -0.098892 0.2531029 ] [ -2.6054572 -3.0808259 -2.3305238 ] [ 2.4498294 2.5204727 -0.3644475 ] [ -0.2953455 -0.290833 -0.1946335 ] [ -0.565278 0.6819135 -4.2417621 ] [ 1.1119349 0.6850502 2.239591 ] [ -0.2981881 0.9221126 -0.2373359 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.269958088682326e-09 -2.145311290897958e-09 7.812227462392725e-09 ] [ -9.45510433610857e-10 -1.584424503841536e-10 4.055155490366803e-10 ] [ -4.17440261233503e-09 -4.936027229735119e-09 -3.733910746577975e-09 ] [ 3.925059389628491e-09 4.038242433304652e-09 -5.83909264009008e-10 ] [ -4.731956551584863e-10 -4.659658331571264e-10 -3.118372433244768e-10 ] [ -9.056751958525823e-10 1.092545867107901e-09 -6.796052067615511e-09 ] [ 1.781516100631586e-09 1.097571414514364e-09 3.588220340354093e-09 ] [ -4.777500024207725e-10 1.477387249465102e-09 -3.802540302565267e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.352514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.82431480381047e-18 } }