{ "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" [ [ 0.4235455 1.0835604 0.3121233 ] [ -0.9688942 -0.1157658 -1.277759 ] [ 1.2575165 1.2218418 -1.0619794 ] [ -0.4692601 -1.1421369 1.3099804 ] [ -0.0204017 1.3327734 0.8938574 ] [ -0.1521943 -1.9843201 0.9161749 ] [ -1.2908419 0.2363762 -0.6837757 ] [ 1.2205302 -0.632329 -0.4086219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.78594703535847e-10 1.736055154407694e-09 5.000766581869721e-10 ] [ -1.552339648058123e-09 -1.854772597763172e-10 -2.047195613683206e-09 ] [ 2.014763553169461e-09 1.957606382404501e-09 -1.701478580469339e-09 ] [ -7.518375674885034e-10 -1.829905054009194e-09 2.098819987877973e-09 ] [ -3.26871270338778e-11 2.135338399896735e-09 1.432117440407992e-09 ] [ -2.438421512879862e-10 -3.179231298596543e-09 1.467874017437286e-09 ] [ -2.068156730368165e-09 3.787164244737108e-10 -1.095529449436994e-09 ] [ 1.955504967531347e-09 -1.013102748800586e-09 -6.546844603206846e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.207867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801139847437968e-18 } }