{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46497e-10 0.0 0.0 ] "source-value" [ 5.46497 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] "source-value" [ 0.00264453 5.45437 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] "source-value" [ -0.00434361 0.134648 5.52148 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.883676970244953e-09 -1.927712314014655e-09 -4.564451068709831e-09 ] [ -3.030366473640845e-10 7.421971043492544e-11 1.494288610637921e-09 ] [ -9.216232619360255e-11 -1.041017944371028e-09 -2.271079752365827e-09 ] [ -2.07568454018188e-09 -9.182115870396941e-10 9.579705611908186e-09 ] [ 2.360589354728371e-09 5.35199089295136e-10 -4.53208854292863e-09 ] [ -2.539861222706559e-09 2.129670041637399e-09 5.729763792492916e-09 ] [ 1.071168665327215e-09 -6.689194737673595e-10 -7.178462787821297e-09 ] [ -3.046902538544121e-10 1.816772477825276e-09 1.742323976568901e-09 ] ] "source-value" [ [ 1.1756987 -1.2031834 -2.8489063 ] [ -0.1891406 0.0463243 0.9326616 ] [ -0.0575232 -0.6497523 -1.4174965 ] [ -1.2955404 -0.5731026 5.979182 ] [ 1.473364 0.334045 -2.8287072 ] [ -1.5852567 1.3292355 3.5762373 ] [ 0.6685709 -0.4175067 -4.4804441 ] [ -0.1901727 1.1339402 1.0874731 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.66653437280603e-18 "source-value" -35.367726 } }