{ "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" [ [ 0.642309 1.1539256 0.2867384 ] [ -1.0972215 -0.0251521 -1.614286 ] [ 1.5719879 1.3957597 -1.3395118 ] [ -0.6760035 -1.3463528 1.7405244 ] [ -0.3179293 1.6060486 1.215957 ] [ -0.074261 -2.1845649 1.1845298 ] [ -1.5823567 0.0969452 -0.7180893 ] [ 1.5334752 -0.6966093 -0.7558625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.029092463129427e-09 1.848792618462613e-09 4.594055607655988e-10 ] [ -1.757942635139107e-09 -4.029810658402368e-11 -2.586371288484749e-09 ] [ 2.518602261560489e-09 2.236253559594822e-09 -2.146134489245725e-09 ] [ -1.083077003278973e-09 -2.157094979508618e-09 2.788627501611947e-09 ] [ -5.093788915273095e-10 2.573173518788571e-09 1.948177877298105e-09 ] [ -1.189792380372288e-10 -3.50005880940029e-09 1.8978259522009e-09 ] [ -2.53521491050624e-09 1.553233329387801e-10 -1.150505888106638e-09 ] [ 2.456898114016604e-09 -1.116091134291854e-09 -1.21102522603944e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.993947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76686603737143e-18 } }