{ "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" [ [ 0.7001661 -0.7356968 -3.0824751 ] [ -0.1661425 0.2522378 1.1828865 ] [ -0.1964413 -1.0018158 -2.0842733 ] [ -1.9061415 -1.2641673 6.9044744 ] [ 2.1537793 0.8014878 -4.1130491 ] [ -1.4749988 1.1076929 4.2756191 ] [ 0.8411565 -0.4703288 -4.3354111 ] [ 0.0486222 1.3105902 1.2522286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.121789756096715e-09 -1.178716212957374e-09 -4.938669539418142e-09 ] [ -2.66189629221264e-10 4.041295060420262e-10 1.895193095359939e-09 ] [ -3.147336582195591e-10 -1.605085853108049e-09 -3.339373952617665e-09 ] [ -3.053975347236643e-09 -2.02541929283986e-09 1.106218746259211e-08 ] [ 3.450734840822989e-09 1.284125015016426e-09 -6.589831108222481e-09 ] [ -2.363208593068055e-09 1.774719667406152e-09 6.850296961465938e-09 ] [ 1.347681278733955e-09 -7.535498074489191e-10 -6.946094305976811e-09 ] [ 7.790135209186177e-11 2.099796977889596e-09 2.006291386817115e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.915088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.594013770677463e-18 } }