{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0258127 1.0666478 -2.3840962 ] [ -0.9273743 2.4636588 -0.6468036 ] [ 0.3858479 -0.1863642 -2.7381257 ] [ -0.5186137 -0.3073239 3.5015124 ] [ 0.8500736 0.3950646 -0.3063931 ] [ -1.4219979 0.6945997 2.5166785 ] [ 0.2937046 -1.0069008 -1.3415744 ] [ -0.6874528 -3.119382 1.3988021 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.245709746059724e-09 1.708958167787754e-09 -3.819743193378121e-09 ] [ -1.485817422190766e-09 3.947216530988183e-09 -1.036293606169275e-09 ] [ 6.181964845647764e-10 -2.985883641940954e-10 -4.386960981351634e-09 ] [ -8.309107453665849e-10 -4.923871675930771e-10 5.610041304721298e-09 ] [ 1.361968047879291e-09 6.329632658257037e-10 -4.908958615944364e-10 ] [ -2.278291790206697e-09 1.112871400154694e-09 4.032163454770012e-09 ] [ 4.705666435414157e-10 -1.613232921224817e-09 -2.149439138743788e-09 ] [ -1.101420804063498e-09 -4.997800911744346e-09 2.241128021745944e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.893518 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.750775537786398e-18 } }