{ "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" [ [ 0.964142 -0.2516811 -2.6376855 ] [ 0.8399267 -0.3391004 2.5471115 ] [ 0.6542581 -2.7286816 1.9742959 ] [ -2.358244 -1.3084315 1.1119812 ] [ 2.1656152 2.5941518 -1.4984713 ] [ 1.3122618 -0.0647812 -1.7677401 ] [ 0.20821 2.371683 -0.30702 ] [ -3.7861699 -0.273159 0.5775283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.544725771531354e-09 -4.032375743172269e-10 -4.226038041123158e-09 ] [ 1.345710921925695e-09 -5.432987329839284e-10 4.08092249587082e-09 ] [ 1.048237031789028e-09 -4.371829865127137e-09 3.163170733521295e-09 ] [ -3.778323402941876e-09 -2.096338359218275e-09 1.781590281409129e-09 ] [ 3.469698043089116e-09 4.156289364766237e-09 -2.400815683799783e-09 ] [ 2.102475176328925e-09 -1.03790924107369e-10 -2.832231859870654e-09 ] [ 3.33589194216768e-10 3.799855054548806e-09 -4.91900266118016e-10 ] [ -6.066112896156674e-09 -4.376489635611072e-10 9.253023401103686e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -217.7606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.488909422513805e-17 } }