{ "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" [ [ 4.1823783 -1.3909163 -1.8028617999999998 ] [ 0.2428823 -1.2492852 -1.0923531999999998 ] [ 0.466594 -1.7027987 3.3626737999999996 ] [ -3.4521181 -0.9383106 3.2126670999999996 ] [ 1.1519578 2.9745152 0.11870789999999999 ] [ -0.6708733 3.0121184 -2.6028116999999997 ] [ -2.8784312 -0.9584388 -2.8869762999999997 ] [ 0.9576102 0.2531159 1.6909539999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.700908786808642e-09 -2.228493595709734e-09 -2.888503050291181e-09 ] [ 3.891403458721782e-10 -2.001575556642017e-09 -1.750142773115128e-09 ] [ 7.47566004364596e-10 -2.728184289545575e-09 5.387597390123988e-09 ] [ -5.530902957628474e-09 -1.50333931875452e-09 5.14726016044054e-09 ] [ 1.845639870514045e-09 4.765698750917837e-09 1.901910236512086e-10 ] [ -1.074857525634472e-09 4.825945719321465e-09 -4.170164088441817e-09 ] [ -4.61175521121658e-09 -1.535588250478999e-09 -4.625445970771773e-09 ] [ 1.534260686920067e-09 4.055363806738806e-10 2.709206987968835e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.14483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.241438025599022e-17 } }