{ "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" [ [ 3.931323 3.3677327 -11.0219005 ] [ -0.1237639 -0.8970721 8.5710958 ] [ 3.1042714 -3.3189765 3.1865309 ] [ -8.5869661 -7.8183764 9.2824612 ] [ 8.3644811 8.5791413 -9.4093586 ] [ 1.4513321 -2.1116877 -2.5291924 ] [ 2.1908854 5.4920865 -2.3828303 ] [ -10.331563 -3.2928477 4.3031939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.298673851306781e-09 5.395702641497731e-09 -1.765903144337291e-08 ] [ -1.982916287127126e-10 -1.437267957633311e-09 1.373240941853554e-08 ] [ 4.973591102674467e-09 -5.3175865970951e-09 5.105385351498991e-09 ] [ -1.375783644237011e-08 -1.252641998389704e-08 1.48721424406516e-08 ] [ 1.340137617395462e-08 1.374529973064438e-08 -1.507545448984695e-08 ] [ 2.325290378794151e-09 -3.383296691245202e-09 -4.052212966170381e-09 ] [ 3.510185395651743e-09 8.799292662206841e-09 -3.81771502944721e-09 ] [ -1.655298883129894e-08 -5.275723644260641e-09 6.894476718151332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.104242 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.303884301868143e-18 } }