{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7207274 1.6844595 -0.7441515 ] [ 0.9653547 -1.3014554 -0.5930905 ] [ 3.0840088 0.069452 0.6940831 ] [ 0.0478815 -0.7053394 1.2835402 ] [ -0.0882484 0.8445685 -1.4829214 ] [ -1.6585795 -1.0361183 1.8741038 ] [ -0.7429902 -0.6052003 -0.3013178 ] [ -3.3281543 1.0496333 -0.7302458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.75690921104997e-09 2.698801629584457e-09 -1.192262135633251e-09 ] [ 1.546668731119398e-09 -2.085161414893912e-09 -9.502357331185824e-10 ] [ 4.941126797701463e-09 1.112743706678016e-10 1.112043715712388e-09 ] [ 7.67146198688352e-11 -1.1300782964091e-09 2.056458100296956e-09 ] [ -1.413895233030067e-10 1.353147905364125e-09 -2.375901997564005e-09 ] [ -2.657337298638154e-09 -1.660044516643041e-09 3.002645293312439e-09 ] [ -1.190401527923516e-09 -9.696377715611464e-10 -4.827643345908903e-10 ] [ -5.33229100987499e-09 1.681697933673153e-09 -1.169982748197393e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.424675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.432611339323824e-18 } }