{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9564945 -0.3415797 0.4144827 ] [ 0.6761489 -0.6311637 -0.5642697 ] [ -0.1677268 -0.0740547 1.7641121 ] [ -1.303717 -1.5018721 1.5353098 ] [ 1.2071128 2.0096978 -0.2895202 ] [ -0.7135951 0.4054873 -0.1903414 ] [ 0.3056407 -0.3359318 -1.3164951 ] [ 0.952631 0.4694168 -1.3532781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.532473125823786e-09 -5.472710094798777e-10 6.640744916660602e-10 ] [ 1.083309959759637e-09 -1.011235724037625e-09 -9.040597211658297e-10 ] [ -2.687279576415975e-10 -1.186487090003578e-10 2.826419163090392e-09 ] [ -2.088784897539513e-09 -2.4062643660518e-09 2.459837467245124e-09 ] [ 1.934007906828426e-09 3.219890830033195e-09 -4.638624956893402e-10 ] [ -1.143305385937438e-09 6.496622720913158e-10 -3.049605410503411e-10 ] [ 4.896903839049465e-10 -5.382220761432615e-10 -2.109257670617758e-09 ] [ 1.526283116449325e-09 7.520886223707495e-10 -2.168190533260644e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.174378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.795774270358186e-18 } }