{ "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" [ [ 1.444713 1.0865958 -0.0881263 ] [ -1.4247046 0.1704658 -0.5755378 ] [ 3.3401005 2.9839361 -1.8459628 ] [ -1.2842381 -1.2127134 -0.2003114 ] [ -0.3551597 0.3242621 -0.3527143 ] [ -2.9144798 -1.8266364 3.0504196 ] [ 0.2812273 -0.6557385 0.2182467 ] [ 0.9125413 -0.8701716 -0.2060137 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.31468539236583e-09 1.740918387019473e-09 -1.411938975376071e-10 ] [ -2.282628401666216e-09 2.731163194059686e-10 -9.221132075466662e-10 ] [ 5.351430932222391e-09 4.780792657381131e-09 -2.957558441026506e-09 ] [ -2.057576259360613e-09 -1.942981057210879e-09 -3.209342419597171e-10 ] [ -5.690285679903418e-10 5.195251556315116e-10 -5.651106052818374e-10 ] [ -4.66951139735386e-09 -2.926594134782277e-09 4.887310966750088e-09 ] [ 4.505758051907079e-10 -1.050608894058461e-09 3.496697603067514e-10 ] [ 1.462052336374439e-09 -1.394168593604129e-09 -3.30070333704505e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.407658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.429884915368209e-18 } }