{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3350511 -0.5522682 -1.0004414 ] [ -0.1981552 -0.2218624 -0.7134421 ] [ -0.1403365 -0.0802256 0.4542826 ] [ -0.7449994 -0.7199045 2.6505526 ] [ 1.2271529 0.9494901 -0.3041778 ] [ -0.440714 0.462861 1.4946478 ] [ 0.178191 -0.1792747 -1.9500059 ] [ -0.21619 0.3411844 -0.6314158 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.368110391933228e-10 -8.848311984512986e-10 -1.602883821560421e-09 ] [ -3.174796287299482e-10 -3.554627503145779e-10 -1.143060252914456e-09 ] [ -2.248438593448992e-10 -1.285355807096525e-10 7.27840960956238e-10 ] [ -1.193620621190028e-09 -1.153414159108714e-09 4.246653407920654e-09 ] [ 1.966115686526921e-09 1.521250839901054e-09 -4.873465597263782e-10 ] [ -7.061016672592513e-10 7.415850728801089e-10 2.394689761490155e-09 ] [ 2.854934542369728e-10 -2.872297330409338e-10 -3.124253863402063e-09 ] [ -3.46374563650752e-10 5.466376690616755e-10 -1.011639632763729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 147.51878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.363511404449386e-17 } }