{ "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" [ [ 0.474384 -0.9236221 3.1038684 ] [ -0.5013838 -0.287548 0.252244 ] [ -1.9263087 -2.2754828 -1.267815 ] [ 1.6699017 1.7232979 -0.1724691 ] [ -0.1537756 -0.149365 -0.1330717 ] [ -0.1200884 0.6641895 -2.9076885 ] [ 0.7502377 0.6535124 1.4170823 ] [ -0.1929668 0.595018 -0.2921506 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.600469540815871e-10 -1.4798057350742e-09 4.972945384519903e-09 ] [ -8.033054024078632e-10 -4.607026829577985e-10 4.041394395370752e-10 ] [ -3.086286763583641e-09 -3.645725343192522e-09 -2.031263552499552e-09 ] [ 2.675477462774175e-09 2.761027606053736e-09 -2.763259598304173e-10 ] [ -2.463756711694925e-10 -2.39309110965792e-10 -2.132043666301113e-10 ] [ -1.924028269092787e-10 1.064148888680842e-09 -4.658630535269021e-09 ] [ 1.202013302982764e-09 1.047042288682898e-09 2.270416130809492e-09 ] [ -3.091668955505894e-10 9.533239285551745e-10 -4.680768610726924e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.763413 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.729930418861479e-18 } }