{ "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" [ [ 16.5258187 13.7245041 -34.8488501 ] [ -2.3621927 -3.2827489 22.986729 ] [ 10.4063975 -9.8784146 8.9298798 ] [ -32.3961732 -29.0209783 31.5309236 ] [ 32.1338639 29.4828007 -31.2880628 ] [ 5.2576839 -6.2341319 -5.3167234 ] [ 7.1851071 19.1402744 -6.9446531 ] [ -36.7505052 -13.9313055 14.950757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.647728036071945e-08 2.198907960109375e-08 -5.583401289198375e-08 ] [ -3.784649917764428e-09 -5.259543539536918e-09 3.682879979246537e-08 ] [ 1.667288678125157e-08 -1.582696492268938e-08 1.430724464211418e-08 ] [ -5.190439130442753e-08 -4.649673294500413e-08 5.051810862415097e-08 ] [ 5.148412547654911e-08 4.723665399724587e-08 -5.012900272828218e-08 ] [ 8.423738224136565e-09 -9.988180381163484e-09 -8.518329930740286e-09 ] [ 1.151181061356409e-08 3.066610015937674e-08 -1.112656083638624e-08 ] [ -5.888080023402883e-08 -2.232041196932245e-08 2.395375332866195e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -24.270216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.88851726569661e-18 } }