{ "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" [ [ 0.6302591 0.3695916 0.5967611 ] [ 0.0220351 -0.1391001 -2.0723202 ] [ -0.7499091 0.4068274 0.402134 ] [ -0.6806814 1.273054 -0.7416098 ] [ 1.0474622 -0.1054133 0.0584425 ] [ 0.2881871 -1.1079909 -1.3135398 ] [ -0.2912497 -1.3955083 2.1754354 ] [ -0.2661032 0.6985396 0.8946968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.009786395066449e-09 5.921510207640653e-10 9.56116682622891e-10 ] [ 3.530412205699007e-11 -2.228629281709421e-10 -3.32022297525158e-09 ] [ -1.201486827745169e-09 6.518093489808498e-10 6.442896932287873e-10 ] [ -1.090571825293413e-09 2.039657355815923e-09 -1.188189883316164e-09 ] [ 1.678219448011734e-09 -1.688907247813767e-10 9.3635207161104e-11 ] [ 4.617266340361516e-10 -1.775197116039151e-09 -2.104522758050308e-09 ] [ -4.666334601550137e-10 -2.235850772392353e-09 3.485431737940696e-09 ] [ -4.263443257600666e-10 1.119183815822984e-09 1.433462295664574e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.244927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.486642142040268e-18 } }