{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3218122 1.8643438 0.9500977999999998 ] [ -1.7081618 -0.2852837 -2.3770659999999997 ] [ -1.9194637 1.4103078 0.7710853999999998 ] [ 1.0576828 -0.3749616 -0.9947255999999998 ] [ 1.0135 -2.1012032 1.7954982999999995 ] [ 0.7040096 0.3952635 2.8859274999999998 ] [ -1.3801749 -2.0909829 -3.087531899999999 ] [ 3.5544203 1.1825163 0.05671449999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.117776621376135e-09 2.987008074102769e-09 1.522224495174805e-09 ] [ -2.736776923051381e-09 -4.570748782010657e-10 -3.808479602675843e-09 ] [ -3.075319889951185e-09 2.259562203907945e-09 1.235415010698543e-09 ] [ 1.694594668343695e-09 -6.007547141672544e-10 -1.59372611356163e-09 ] [ 1.623806018559e-09 -3.366498670326028e-09 2.876705422646721e-09 ] [ 1.127947731231686e-09 6.332819439730589e-10 4.623765607918034e-09 ] [ -2.211283975613286e-09 -3.350123944473559e-09 -4.946771466909623e-09 ] [ 5.69480915207527e-09 1.894599985184134e-09 9.086664670899298e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -323.85564 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.188739391971157e-17 } }