{ "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" [ [ 0.4161412 1.1488421 0.3540704 ] [ -1.0794282 0.1228758 -1.6551572 ] [ 1.4065139 1.2472409 -1.2662037 ] [ -0.6179062 -1.3088427 1.6553991 ] [ 0.0664325 1.412356 1.1766934 ] [ -0.1014743 -2.1784872 1.0059606 ] [ -1.5175224 0.1115187 -0.7901357 ] [ 1.4272435 -0.5555036 -0.4806271 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.667317070847206e-10 1.840647968775491e-09 5.672833216710336e-10 ] [ -1.729434640120678e-09 1.968687356440572e-10 -2.651854191436864e-09 ] [ 2.253483705976213e-09 1.99830022694913e-09 -2.028681982024346e-09 ] [ -9.899948756437307e-10 -2.096997191521472e-09 2.652241757964629e-09 ] [ 1.06436599238205e-10 2.262843782089704e-09 1.885270670862016e-09 ] [ -1.625797524115062e-10 -3.490321289308085e-09 1.61172656804462e-09 ] [ -2.431338930851601e-09 1.786726553940558e-10 -1.265936956229233e-09 ] [ 2.286696186728379e-09 -8.900148880228823e-10 -7.700495092871813e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.272581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.811508173307235e-18 } }