{ "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" [ [ -0.3068257 6.0695501 1.0127326 ] [ -5.4961377 1.3630026 -6.0073603 ] [ 12.8711605 16.3718261 -14.4805197 ] [ -3.3035127 -10.2813736 6.9054414 ] [ 3.0158272 13.5294113 8.5538861 ] [ -10.8903047 -21.0334032 9.4226102 ] [ -8.6206705 1.7445911 -3.2277712 ] [ 12.7304636 -7.7636044 -2.1790191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.915889632005945e-10 9.724491268994302e-09 1.622576494841998e-09 ] [ -8.805783327637484e-09 2.183770899809614e-09 -9.624852225382075e-09 ] [ 2.062187243566444e-08 2.623055701722324e-08 -2.320035012037383e-08 ] [ -5.292810814455885e-09 -1.647257641163033e-08 1.106373676738442e-08 ] [ 4.831887832212726e-09 2.167650647804733e-08 1.370483632640609e-08 ] [ -1.744819158372836e-08 -3.369922686289991e-08 1.509668576935161e-08 ] [ -1.381183673072025e-08 2.795143073275755e-09 -5.171459553931561e-09 ] [ 2.03964511518654e-08 -1.243866546282001e-08 -3.491173458296657e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.559372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.216586460633014e-18 } }