{ "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" [ [ 1.3207711 0.2725294 -3.731106 ] [ 1.009117 -0.2245551 3.303273 ] [ 0.8003288 -3.4227465 2.7401504 ] [ -3.0799723 -2.0528717 1.5128384 ] [ 2.999291 3.5680125 -1.9677832 ] [ 1.4805787 -0.0272261 -2.4428474 ] [ 0.3888772 2.6048995 -0.5821949 ] [ -4.9189915 -0.7180419 1.1676696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.116108595282477e-09 4.366402367580395e-10 -5.977890852177204e-09 ] [ 1.616783678372178e-09 -3.597769342655334e-10 5.292426816323082e-09 ] [ 1.282268102877259e-09 -5.483844466405281e-09 4.390204944525753e-09 ] [ -4.934659652427237e-09 -3.289063070339857e-09 2.423834335497945e-09 ] [ 4.805393958766494e-09 5.716586257319925e-09 -3.152736263817748e-09 ] [ 2.372148597938095e-09 -4.362102125494739e-11 -3.913873024707651e-09 ] [ 6.230499633353447e-10 4.173509112818282e-09 -9.327790652139664e-10 ] [ -7.881093244144609e-09 -1.150429954412965e-09 1.870812949352126e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.30777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.244048612206462e-17 } }