{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2637651 1.9022524 -4.75043 ] [ -0.2955409 0.0431831 3.9133323 ] [ 1.3133944 -1.4164826 1.6429396 ] [ -2.5176582 -2.9399117 3.1292642 ] [ 2.7946404 3.044992 -3.0038282 ] [ 0.3483682 -0.9309734 -1.5613853 ] [ 1.0775029 1.7963705 -1.3619583 ] [ -3.9844718 -1.4994303 1.9920657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.024774897402974e-09 3.04774432214069e-09 -7.611027884746943e-09 ] [ -4.735087204701907e-10 6.918695323366848e-11 6.269849520481492e-09 ] [ 2.104289801569643e-09 -2.269455305489998e-09 2.632279416506504e-09 ] [ -4.033733107205411e-09 -4.710257792956383e-09 5.013633941546415e-09 ] [ 4.477507512423161e-09 4.878614992923034e-09 -4.812663314939747e-09 ] [ 5.581473854701787e-10 -1.491583816066687e-09 -2.501615023720795e-09 ] [ 1.7263499552242e-09 2.878102817394807e-09 -2.182097746764513e-09 ] [ -6.383827564196894e-09 -2.40235217117913e-09 3.191641091637587e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.059346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.7773441122538e-18 } }