{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.6690164 0.7791774 -1.5776968999999998 ] [ -0.9635001 -1.3070263 1.0910030999999998 ] [ 1.0501408 1.0337912 2.0982079999999996 ] [ -3.5568874 -3.1563291 3.4479857999999997 ] [ 1.5041976 4.0210712 -0.8965191999999998 ] [ -1.9215651 0.2464436 -2.0090102999999995 ] [ -0.3104257 -0.6190252 -3.8379091999999995 ] [ -1.4709764 -0.9981027 1.6839385999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.082765539011782e-09 1.24837981373573e-09 -2.527749087888636e-09 ] [ -1.543697334358462e-09 -2.094086980630727e-09 1.747979660040324e-09 ] [ 1.682511038308209e-09 1.656316091428777e-09 3.361699803175526e-09 ] [ -5.698761835098098e-09 -5.056996691570706e-09 5.524282237610384e-09 ] [ 2.40999022778347e-09 6.442466267212201e-09 -1.436382102338319e-09 ] [ -3.078686678565214e-09 3.948461742657869e-10 -3.218789333606393e-09 ] [ -4.973567990354746e-10 -9.917877031260442e-10 -6.149008392993231e-09 ] [ -2.356763997828549e-09 -1.599136811097356e-09 2.697967055782683e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.861954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.585500765420504e-18 } }