{ "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" [ [ 0.4814553 -0.5047669 -1.6820183 ] [ -0.163387 0.0023549 0.6365381 ] [ -0.0369082 -0.4430997 -1.0363366 ] [ -1.1585331 -0.8016818 3.9227026 ] [ 1.3371443 0.6471549 -2.2463199 ] [ -0.8287296 0.6018168 2.2358402 ] [ 0.4284312 -0.2311365 -2.5179714 ] [ -0.0594728 0.7293582 0.6875652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.713764256202502e-10 -8.087257261336916e-10 -2.694890396017761e-09 ] [ -2.617748315426496e-10 3.77296572432192e-12 1.019846462068452e-09 ] [ -5.913345515581056e-11 -7.099239800234938e-10 -1.660394271799362e-09 ] [ -1.856174647242949e-09 -1.284435837280862e-09 6.284862396071374e-09 ] [ 2.142341336095982e-09 1.036856450816162e-09 -3.599001226617794e-09 ] [ -1.327771190084936e-09 9.642168069646695e-10 3.582210896284797e-09 ] [ 6.86422452261289e-10 -3.703214965135392e-10 -4.034234908923045e-09 ] [ -9.528592973351424e-11 1.168560656228771e-09 1.101600888715676e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.593298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.45962772215674e-18 } }