{ "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" [ [ 0.4079977 0.9510939 0.2558107 ] [ -0.9128423 -0.0206189 -1.2792409 ] [ 1.3741734 1.2741401 -1.1427057 ] [ -0.6171429 -1.0651481 1.3250936 ] [ -0.1181915 1.4023197 0.9263513 ] [ -0.1990979 -1.9958443 1.0353015 ] [ -1.2311157 0.1277766 -0.6052949 ] [ 1.2962192 -0.6737188 -0.5153157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.536843816657418e-10 1.523820423319933e-09 4.098539262671837e-10 ] [ -1.462534603586818e-09 -3.303511979878259e-11 -2.04956987923713e-09 ] [ 2.201668512544335e-09 2.041397496662423e-09 -1.830816372078614e-09 ] [ -9.887719342189985e-10 -1.706555397569495e-09 2.123034003782942e-09 ] [ -1.89363659637411e-10 2.24676385673789e-09 1.484178407735524e-09 ] [ -3.189900032584686e-10 -3.197695102562086e-09 1.658735872445151e-09 ] [ -1.972464808290554e-09 2.047206828919644e-10 -9.697893454593664e-10 ] [ 2.076772114782172e-09 -1.079416519246519e-09 -8.256267736733538e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.395016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.831124422925613e-18 } }