{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6185553 4.0027857 -7.3885803 ] [ -0.2195588 2.1993329 -8.4510921 ] [ 12.8620975 18.7468525 -15.131637 ] [ 0.097516 0.6606731 -0.6768368 ] [ 5.8421437 -5.3036705 7.8202485 ] [ -19.3914616 -13.1877374 22.0690006 ] [ -2.1128701 -0.8584274 -3.3855986 ] [ -3.6964219 -6.2598089 5.1444957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.060409456513193e-08 6.413169666612562e-09 -1.183781061756345e-08 ] [ -3.51771976250903e-10 3.523719753736264e-09 -1.354014218284758e-08 ] [ 2.060735190895013e-08 3.003576878908603e-08 -2.424355503583225e-08 ] [ 1.562378553539328e-10 1.058514994811461e-09 -1.084412097057086e-09 ] [ 9.360146051494009e-09 -8.497416879526647e-09 1.252941931554627e-08 ] [ -3.106854641866096e-08 -2.112908454352978e-08 3.535843680574117e-08 ] [ -3.385191077007358e-09 -1.37535231093413e-09 -5.42432692433321e-09 ] [ -5.922320748793115e-09 -1.002931947025577e-08 8.242390736346132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.739612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.963722795406314e-18 } }