{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.56073e-10 0.0 0.0 ] "source-value" [ 5.56073 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.33996e-11 5.45738e-10 0.0 ] "source-value" [ 0.133996 5.45738 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.57535e-11 1.46511e-11 5.42452e-10 ] "source-value" [ 0.257535 0.146511 5.42452 ] } "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" [ [ -3.369654930533123e-09 -1.97471120387985e-09 -4.678839109422495e-09 ] [ 2.961373543995955e-09 1.948062520581408e-09 1.231929465281666e-09 ] [ -1.286232518143427e-09 -6.102418378601665e-11 -9.768637483386165e-10 ] [ -2.587588622281233e-09 3.815181155668055e-09 -1.989537746328733e-09 ] [ -4.582530670569587e-09 3.093565131536611e-09 3.009401832340015e-09 ] [ 6.81081115842866e-10 -2.043254242329619e-10 -7.281223031708505e-10 ] [ 2.370286849161087e-09 -3.676902738927317e-09 7.485637697179245e-09 ] [ 5.81326523252746e-09 -2.939845256959928e-09 -3.353606087540231e-09 ] ] "source-value" [ [ -2.1031732 -1.2325178 -2.9203017 ] [ 1.848344 1.215885 0.7689099 ] [ -0.8028032 -0.0380883 -0.6097104 ] [ -1.6150458 2.3812488 -1.2417718 ] [ -2.8601907 1.9308515 1.8783209 ] [ 0.4250974 -0.1275299 -0.4544582 ] [ 1.4794167 -2.2949422 4.6721676 ] [ 3.6283548 -1.8349071 -2.0931563 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1946e-12 -1.43129e-11 4.47254e-11 ] [ 1.34917e-10 1.36629e-10 1.27067e-10 ] [ 1.49131e-11 2.79951e-10 2.69143e-10 ] [ 1.55983e-10 4.18842e-10 3.90967e-10 ] [ 2.84034e-10 5.9242e-12 2.59602e-10 ] [ 4.26988e-10 1.39211e-10 3.97128e-10 ] [ 2.60434e-10 2.82137e-10 -6.399129999999999e-11 ] [ 3.66815e-10 4.10108e-10 1.28502e-10 ] ] "source-value" [ [ 0.021946 -0.143129 0.447254 ] [ 1.34917 1.36629 1.27067 ] [ 0.149131 2.79951 2.69143 ] [ 1.55983 4.18842 3.90967 ] [ 2.84034 0.059242 2.59602 ] [ 4.26988 1.39211 3.97128 ] [ 2.60434 2.82137 -0.639913 ] [ 3.66815 4.10108 1.28502 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.377220368199098e-18 "source-value" -33.56197 } }