{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9822115 2.0054415 -0.2819896 ] [ -2.7972425 0.275917 -0.9178285 ] [ 5.9840586 4.9489985 -2.8074319 ] [ -2.195381 -2.2425445 -0.0782719 ] [ -0.6913117 0.4508258 -1.0030518 ] [ -5.5260735 -2.9780401 4.9532968 ] [ 0.5259711 -0.913986 0.6005086 ] [ 1.7177676 -1.5466122 -0.4652317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.778029543580899e-09 3.213071485682083e-09 -4.517971444287437e-10 ] [ -4.481676536208144e-09 4.420677666812736e-10 -1.470523364603933e-09 ] [ 9.587518786417178e-09 7.929169693074269e-09 -4.498001754668123e-09 ] [ -3.517388111948524e-09 -3.592952369003626e-09 -1.254054082455955e-10 ] [ -1.107603443425503e-09 7.223025568134567e-10 -1.607066143411357e-09 ] [ -8.853745766522428e-09 -4.771346224024894e-09 7.936056328843454e-09 ] [ 8.426985996364589e-10 -1.464367000938509e-09 9.621208395093388e-10 ] [ 2.752167088687726e-09 -2.477945908284054e-09 -7.453833529950394e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.646327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.550953511599181e-18 } }