{ "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" [ [ 0.3811553 1.1551784 0.3474883 ] [ -1.0771045 0.0580041 -1.5647603 ] [ 1.5292359 1.5249577 -1.4087689 ] [ -0.5943654 -1.3745564 1.5638651 ] [ 0.0682294 1.6071298 1.1854835 ] [ -0.3398414 -2.4125729 1.160479 ] [ -1.5062643 0.1864932 -0.7769098 ] [ 1.5389551 -0.7446341 -0.5068769 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.106781105540102e-10 1.850799825333151e-09 5.567376302615367e-10 ] [ -1.725711648058473e-09 9.29328129305453e-11 -2.507022369815994e-09 ] [ 2.450106006668047e-09 2.44325157464894e-09 -2.257096595690133e-09 ] [ -9.522783480924405e-10 -2.202282128051013e-09 2.505588101305054e-09 ] [ 1.093155495312115e-10 2.57490579215098e-09 1.899353948044157e-09 ] [ -5.444859458599412e-10 -3.865367896355656e-09 1.859292322729363e-09 ] [ -2.413301446205677e-09 2.987950449781786e-10 -1.244746718030404e-09 ] [ 2.465677881680926e-09 -1.193035346070449e-09 -8.121063188035796e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.269647 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.811038046806886e-18 } }