{ "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" [ [ 0.7592456 -0.7666112 -2.125538 ] [ -0.301145 -0.0645596 0.9529116 ] [ -0.0409879 -0.5982578 -1.5453211 ] [ -2.5948752 -1.7652044 5.8024059 ] [ 2.6486726 1.7584076 -3.7119392 ] [ -1.1183533 0.7511598 2.8417331 ] [ 0.6883454 -0.3202097 -3.1960704 ] [ -0.0409023 1.0052753 0.9818182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.216445549765268e-09 -1.228246541883433e-09 -3.405487290221991e-09 ] [ -4.82487478470816e-10 -1.034358817681997e-10 1.526732687209121e-09 ] [ -6.566985511568832e-11 -9.58514660371242e-10 -2.475877338048939e-09 ] [ -4.157448379333725e-09 -2.828169220613292e-09 9.296479077371983e-09 ] [ 4.24364131587355e-09 2.817279546557038e-09 -5.947182204071056e-09 ] [ -1.791799511054529e-09 1.203490670044804e-09 4.552958335373508e-09 ] [ 1.102850906915224e-09 -5.130324950933817e-10 -5.120669273310905e-09 ] [ -6.553270879694784e-11 1.610628583127707e-09 1.573046165915939e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.545686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.695046707949788e-18 } }