{ "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" [ [ 9.991163794249076e-10 5.112087374459252e-10 1.324009599814622e-09 ] [ -4.749695851130362e-10 -4.666454764796697e-10 -3.57127556019485e-09 ] [ -1.083357063752289e-09 7.299662482437294e-10 8.125196803717461e-10 ] [ -8.633282258058797e-10 2.452697527352191e-09 -1.386601353206429e-09 ] [ 1.69522222696465e-09 1.677365167437524e-10 -7.478255508181247e-11 ] [ 4.575215612772e-10 -2.219481814510625e-09 -2.598410684484088e-09 ] [ -1.375378907066035e-10 -2.724716676208236e-09 4.038125474411334e-09 ] [ -5.926674022889491e-10 1.549235097630595e-09 1.456415238151816e-09 ] ] "source-value" [ [ 0.6235994 0.3190714 0.8263818 ] [ -0.2964527 -0.2912572 -2.2290149 ] [ -0.6761783 0.4556091 0.5071349 ] [ -0.5388471 1.5308534 -0.8654485 ] [ 1.0580745 0.1046929 -0.0466756 ] [ 0.2855625 -1.3852916 -1.6218004 ] [ -0.0858444 -1.7006344 2.5203997 ] [ -0.3699139 0.9669565 0.9090229 ] ] } "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" -5.472553562142925e-18 "source-value" -34.156993 } }