{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3588303 -4.8756202 -2.0845388 ] [ 3.8921385 -0.7520074 1.7224418 ] [ 4.7289023 -3.7692513 5.3727592 ] [ -18.7543941 15.6582106 -9.4852639 ] [ -4.4497188 -3.692507 -5.2332571 ] [ 10.6025215 -6.7416041 -3.5157047 ] [ 11.0952067 -3.0975 19.7248431 ] [ -4.7558259 7.2702793 -6.5012795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.77926279023121e-09 -7.811604760698406e-09 -3.339799358026399e-09 ] [ 6.235893360991808e-09 -1.204848684875091e-09 2.759656005384901e-09 ] [ 7.576536769528857e-09 -6.039006360534123e-09 8.608109250348532e-09 ] [ -3.004785201184745e-08 2.508721915357112e-08 -1.519706818790371e-08 ] [ -7.129235489230519e-09 -5.916048436281437e-09 -8.384602245334602e-09 ] [ 1.698711220878263e-08 -1.08012405646986e-08 -5.63277992238398e-09 ] [ 1.777648092414025e-08 -4.962742123815001e-09 3.160268272413612e-08 ] [ -7.61967313235202e-09 1.164827161711387e-08 -1.04161981060032e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.390444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.427126956768549e-18 } }