{ "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" [ [ 2.397429 3.0468459 -0.624787 ] [ -3.4841169 0.9524309 -0.6955502 ] [ 15.1559368 16.0527365 -14.1470588 ] [ -3.5443958 -2.9802398 -1.5593772 ] [ -0.0027785 1.7769306 0.4831977 ] [ -14.6717507 -13.1448069 16.6179774 ] [ 1.6165441 -2.6176894 -0.5238178 ] [ 2.533132 -3.0862079 0.4494159 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.841104725473985e-09 4.881585308378701e-09 -1.001019132626958e-09 ] [ -5.582170687304514e-09 1.52596253347959e-09 -1.114394278214027e-09 ] [ 2.428248780734073e-08 2.571931933205894e-08 -2.266608704918408e-08 ] [ -5.678748132407738e-09 -4.774870571276833e-09 -2.498397713432344e-09 ] [ -4.451647777568999e-12 2.8469566875596e-09 7.741680645425418e-10 ] [ -2.350673615141314e-08 -2.106030247362197e-08 2.662493509462007e-08 ] [ 2.589989184850559e-09 -4.194000791749479e-09 -8.392486396332852e-10 ] [ 4.058524901237688e-09 -4.944650185046208e-09 7.200436539280805e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.965604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.281672045449693e-18 } }