{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4303523 1.1958735 0.2420537 ] [ -1.0704414 -0.1518573 -1.3984726 ] [ 1.1285819 1.1748039 -0.9466838 ] [ -0.4657835 -1.3083852 1.456239 ] [ 0.148619 1.3102916 0.8124879 ] [ -0.2094495 -1.9342048 0.9438414 ] [ -1.2936906 0.3532378 -0.6189852 ] [ 1.3318118 -0.6397594 -0.4904803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.895003937675079e-10 1.916000563134269e-09 3.87812779118137e-10 ] [ -1.715036185016421e-09 -2.433022157578119e-10 -2.24060010454939e-09 ] [ 1.808187534838043e-09 1.882243342604661e-09 -1.516754651650103e-09 ] [ -7.462674340543968e-10 -2.096264178440732e-09 2.333152080097172e-09 ] [ 2.381138872066752e-10 2.099318567950625e-09 1.301749118062889e-09 ] [ -3.355750921382497e-10 -3.09893771039914e-09 1.512200624823141e-09 ] [ -2.072720833868724e-09 5.659493447428263e-10 -9.917236160612122e-10 ] [ 2.133797729265566e-09 -1.025007553617035e-09 -7.858360696229702e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.544823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.656214412587412e-18 } }