{ "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" [ [ 0.3929017 1.1358865 0.3600084 ] [ -1.0701136 0.0462957 -1.5846957 ] [ 1.5320314 1.5152327 -1.4184628 ] [ -0.6006547 -1.3497627 1.591432 ] [ 0.0277753 1.6060126 1.1860549 ] [ -0.3170401 -2.4055159 1.1760283 ] [ -1.5081091 0.1815918 -0.7775672 ] [ 1.5432091 -0.7297406 -0.5327978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.294979231988777e-10 1.819890809176041e-09 5.767970465237255e-10 ] [ -1.714511005645622e-09 7.41738887946738e-11 -2.538962422540273e-09 ] [ 2.454584911634308e-09 2.427670427012732e-09 -2.272627954358214e-09 ] [ -9.623549254422798e-10 -2.162558259384751e-09 2.549755164999887e-09 ] [ 4.450093666234019e-11 2.573115861629588e-09 1.900269447421206e-09 ] [ -5.079542402610233e-10 -3.85406136769548e-09 1.884205063182742e-09 ] [ -2.416257161542769e-09 2.909421388860012e-10 -1.245799999204805e-09 ] [ 2.472493561396169e-09 -1.16917333820114e-09 -8.53636185806605e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.259574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.809424222159392e-18 } }