{ "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" [ [ 1.3010451 1.1337148 -3.6172809 ] [ -0.0050439 -0.2146815 2.9735649 ] [ 1.0476544 -1.5645136 1.3673098 ] [ -2.4546077 -2.2746402 2.4730768 ] [ 2.4496818 2.6824711 -2.4803394 ] [ 0.6202875 -0.6044757 -1.1909729 ] [ 0.7766246 1.9960635 -0.9005276 ] [ -3.7356419 -1.1539384 1.3751692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.084504059000193e-09 1.816411362179983e-09 -5.79552293659449e-09 ] [ -8.081218724232599e-12 -3.439576830520709e-10 4.764176202462546e-09 ] [ 1.678527400187289e-09 -2.506627133495222e-09 2.190671812999213e-09 ] [ -3.932715102576481e-09 -3.644375379197086e-09 3.96230586304749e-09 ] [ 3.924822940695061e-09 4.297792517800276e-09 -3.973941831069579e-09 ] [ 9.938101388622748e-10 -9.684768423607937e-10 -1.908148952107219e-09 ] [ 1.244289787509596e-09 3.198046299680258e-09 -1.442804278992098e-09 ] [ -5.985158165171365e-09 -1.848813141555345e-09 2.203263960036472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.49165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.68638923321061e-18 } }