{ "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" [ [ 0.8620853 -1.105906 -1.5903433 ] [ -0.4221992 -0.4389184 -0.7427008 ] [ -0.0749722 -0.0897915 0.5650619 ] [ -1.0871084 -0.8738927 3.9977341 ] [ 1.7947635 1.2784325 -0.5246321 ] [ -0.9203998 0.8516397 2.2173718 ] [ 0.3354317 -0.2946433 -3.3309269 ] [ -0.4876009 0.6730797 -0.5915647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.381212912795354e-09 -1.771856738002445e-09 -2.548010854305921e-09 ] [ -6.764376875604634e-10 -7.032247989189427e-10 -1.189937858009457e-09 ] [ -1.201187060499418e-10 -1.438618420465632e-10 9.053289654848276e-10 ] [ -1.741739662755295e-09 -1.400130453027788e-09 6.40507611119493e-09 ] [ 2.875528119565181e-09 2.048274662770896e-09 -8.405532851412078e-10 ] [ -1.474643041348996e-09 1.364477216685126e-09 3.552621257581214e-09 ] [ 5.374208276151994e-10 -4.720706067353606e-10 -5.33673320477382e-09 ] [ -7.812227622610387e-10 1.078392559275078e-09 -9.477911320305658e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -216.01827 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.46099421859662e-17 } }