{ "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" [ [ 0.1749579 -0.2448892 -0.3963427 ] [ -0.0798273 -0.1072958 -0.3100884 ] [ -0.0558592 -0.0369041 0.2182071 ] [ -0.3475588 -0.3218941 1.1291908 ] [ 0.5311918 0.4051254 -0.137735 ] [ -0.2333141 0.2131184 0.5930886 ] [ 0.0928401 -0.0725619 -0.8226519 ] [ -0.0824303 0.1653014 -0.2736684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.803134570042643e-10 -3.923557509264154e-10 -6.350110077647481e-10 ] [ -1.278974337615879e-10 -1.719068222700326e-10 -4.968163848612787e-10 ] [ -8.949630429659136e-11 -5.912688623166529e-11 3.496063141125677e-10 ] [ -5.568505837133031e-10 -5.157312013934573e-10 1.809163100182448e-09 ] [ 8.510630831206694e-10 6.490824443722484e-10 -2.20675796865888e-10 ] [ -3.738103963229933e-10 3.414533179423027e-10 9.502326889830029e-10 ] [ 1.487462376927341e-10 -1.162569797408275e-10 -1.318033641236699e-09 ] [ -1.320678995055302e-10 2.648420384655091e-10 -4.384651123317427e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 146.6164 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.349053683058611e-17 } }