{ "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" [ [ 1.7072193 -2.0727146 -6.6044005 ] [ -2.4282771 -2.7237168 9.4847943 ] [ 0.8707578 -2.261546 -8.9151617 ] [ -21.2016884 -21.1164317 31.9370084 ] [ 24.1281344 21.6318352 -29.3781518 ] [ -3.3496625 0.0500389 8.5309344 ] [ 0.374194 0.3367113 -13.7227724 ] [ -0.1006775 6.1558237 8.6677493 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.735266849038541e-09 -3.320854873710824e-09 -1.058141607549983e-08 ] [ -3.890528798444024e-09 -4.36387537864019e-09 1.51963156805571e-08 ] [ 1.395107789539242e-09 -3.623396128063757e-09 -1.428366364639159e-08 ] [ -3.396884947596655e-08 -3.383225318446e-08 5.116872819677322e-08 ] [ 3.865753283920023e-08 3.465802062243849e-08 -4.706898797627344e-08 ] [ -5.366750945070479e-09 8.017115571054912e-11 1.366806364925848e-08 ] [ 5.995248784436352e-10 5.39470972819175e-10 -2.198630511183951e-08 ] [ -1.61303136740592e-10 9.862716813906553e-09 1.388726528341557e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.614445 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.744757141696746e-18 } }