{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.956703840016971e-09 4.635748729423742e-09 -6.483074875625336e-09 ] [ 7.208130132090989e-10 1.192178982666632e-09 7.229878077541728e-10 ] [ 7.927605167604059e-10 3.060535619628171e-09 -2.737266685896624e-09 ] [ -1.421522875486372e-09 -2.461424423188026e-09 2.231026618587124e-09 ] [ 2.067522251387215e-09 1.659592542618313e-09 1.007399792772106e-09 ] [ -3.710895799855507e-10 -4.69208894985885e-09 -1.546834235964326e-10 ] [ -2.064437580739188e-09 1.730084308491961e-09 8.684191420184716e-10 ] [ -2.680749745380242e-09 -5.124626969999605e-09 4.545191623986519e-09 ] ] "source-value" [ [ 1.8454294 2.8934068 -4.0464171 ] [ 0.4498961 0.7440996 0.4512535 ] [ 0.4948022 1.9102361 -1.7084675 ] [ -0.8872448 -1.5363003 1.3924973 ] [ 1.2904459 1.0358362 0.6287695 ] [ -0.2316159 -2.9285716 -0.0965458 ] [ -1.2885206 1.0798337 0.5420246 ] [ -1.6731924 -3.1985406 2.8368855 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.75712896917618e-18 "source-value" -35.933173 } }