{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5062638 0.2855912 0.4051887 ] [ -0.021059 -0.1801549 -1.7370102 ] [ -0.6908445 0.4387353 0.3445707 ] [ -0.6168539 1.1853387 -0.6510258 ] [ 0.8655345 -0.0626686 -0.0019528 ] [ 0.333146 -1.0077903 -1.1300404 ] [ -0.173454 -1.2308364 1.9122576 ] [ -0.2027327 0.571785 0.8580123 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.111240310000492e-10 4.575675475160207e-10 6.491838675008358e-10 ] [ -3.3740237735406e-11 -2.886399712806066e-10 -2.782997155459667e-09 ] [ -1.106854915627413e-09 7.029314461709801e-10 5.520631243010237e-10 ] [ -9.883089051717724e-10 1.899121968515936e-09 -1.043058324891157e-09 ] [ 1.386739151820873e-09 -1.004061666054924e-10 -3.128730530875199e-12 ] [ 5.33758736910564e-10 -1.61465807063185e-09 -1.810524324356013e-09 ] [ -2.77903945873836e-10 -1.972017320356677e-09 3.063774444908918e-09 ] [ -3.248135948877318e-10 9.161005666716899e-10 1.374687258744598e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.640676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.870483494116458e-18 } }