{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] "source-value" [ 5.41394 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] "source-value" [ 0.0321649 5.43167 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] "source-value" [ -0.034689 -0.0250046 5.52467 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.242564392123105e-10 5.077163128479053e-10 1.079221845894004e-09 ] [ -1.206640869716621e-10 -4.01315122589929e-10 -3.293614987239306e-09 ] [ -1.187782449801494e-09 6.570399749947757e-10 7.42344504598368e-10 ] [ -1.206622925338468e-09 2.292259886422155e-09 -1.446875077463263e-09 ] [ 1.586499002130148e-09 -4.048187624242944e-11 8.990469911723328e-11 ] [ 5.517287454919296e-10 -1.950039766749137e-09 -2.264204171615326e-09 ] [ -1.501571144250106e-10 -2.264919223041189e-09 3.772791727940901e-09 ] [ -3.972574500800908e-10 1.199739974575511e-09 1.320431458767389e-09 ] ] "source-value" [ [ 0.5768755 0.3168916 0.6735973 ] [ -0.0753126 -0.2504812 -2.0557128 ] [ -0.7413555 0.4100921 0.463335 ] [ -0.7531148 1.4307161 -0.9030684 ] [ 0.9902148 -0.0252668 0.0561141 ] [ 0.344362 -1.2171191 -1.4132051 ] [ -0.0937207 -1.4136514 2.3547914 ] [ -0.2479486 0.7488188 0.8241485 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.856870552092139e-18 "source-value" -36.555711 } }