{ "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" [ [ 0.5768755 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 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.242564468270669e-10 5.077163170308743e-10 1.079221854785488e-09 ] [ -1.206640879657884e-10 -4.013151258962808e-10 -3.293615014374715e-09 ] [ -1.187782459587387e-09 6.570399804079913e-10 7.4234451071439e-10 ] [ -1.206622935279583e-09 2.292259905307607e-09 -1.446875089383765e-09 ] [ 1.586499015200983e-09 -4.048187657595119e-11 8.99046998579394e-11 ] [ 5.51728750037508e-10 -1.950039782815109e-09 -2.264204190269633e-09 ] [ -1.501571156621238e-10 -2.264919241701387e-09 3.772791759024147e-09 ] [ -3.972574533530123e-10 1.199739984459919e-09 1.320431469646149e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.555711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.856870600345678e-18 } }