{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.408695 -0.4481774 -1.8537562 ] [ -0.2563754 -0.1095351 0.970043 ] [ -0.0191172 -0.5598677 -1.4095913 ] [ -2.1040725 -1.9024617 5.249005 ] [ 2.4495679 1.6341403 -3.5184195 ] [ -0.8620291 0.4335319 2.5610223 ] [ 0.4050807 -0.086551 -2.9761213 ] [ -0.0217495 1.0389207 0.9778179 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.548015740378559e-10 -7.1805935225093e-10 -2.970044844303049e-09 ] [ -4.107586720282483e-10 -1.754945763769901e-10 1.554180215770694e-09 ] [ -3.062913089515776e-11 -8.970069396810681e-10 -2.258414225743079e-09 ] [ -3.371095767968208e-09 -3.048079657707423e-09 8.409833093462306e-09 ] [ 3.924640420442152e-09 2.618181383767099e-09 -5.637129465066825e-09 ] [ -1.381122870469265e-09 6.945946745510036e-10 4.103210054407444e-09 ] [ 6.490108270772986e-10 -1.386699887068608e-10 -4.768271967524903e-09 ] [ -3.484654041408961e-11 1.664534456405171e-09 1.566636978779753e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.522515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.691334304501731e-18 } }