{ "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" [ [ 0.6898401 -1.1457404 4.3903094 ] [ -0.8344951 -0.3889802 0.2267817 ] [ -2.5918644 -3.1531824 -1.525044 ] [ 2.2853734 2.1741433 -0.3888308 ] [ -0.2779819 -0.2974407 -0.0506088 ] [ -0.0339078 1.0909676 -4.0463594 ] [ 0.9969389 0.896486 1.9846321 ] [ -0.2339032 0.8237468 -0.5908802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.105245680310334e-09 -1.83567848238604e-09 7.034051078758475e-09 ] [ -1.337008539392158e-09 -6.232149823941081e-10 3.633443377652794e-10 ] [ -4.15262454596382e-09 -5.051955122398034e-09 -2.443389842491315e-09 ] [ 3.661571831278207e-09 3.483361565528961e-09 -6.229756172069605e-10 ] [ -4.453761011855636e-10 -4.765525356143865e-10 -8.108423616674305e-11 ] [ -5.432628442276225e-11 1.747922782770286e-09 -6.482982430034315e-09 ] [ 1.597272197946069e-09 1.436328910074509e-09 3.179731151509208e-09 ] [ -3.747542385703066e-10 1.319787864418814e-09 -9.466944421336281e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.251156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.327422475777365e-18 } }