{ "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" [ [ 0.4957882 0.2773115 0.3923823 ] [ -0.0438723 -0.1947506 -1.6717479 ] [ -0.6786746 0.4299416 0.3347886 ] [ -0.6122864 1.1479313 -0.6277241 ] [ 0.8572163 -0.0621609 -0.002277 ] [ 0.3265011 -0.9808617 -1.1039792 ] [ -0.1416678 -1.1680655 1.8348793 ] [ -0.2030045 0.5506542 0.843678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.943402629085146e-10 4.443020019789792e-10 6.286657474757319e-10 ] [ -7.029117336072386e-11 -3.120248582067724e-10 -2.678435401251496e-09 ] [ -1.087356577250792e-09 6.888423798293452e-10 5.363904678303628e-10 ] [ -9.809909553137971e-10 1.839188691144551e-09 -1.005724877332721e-09 ] [ 1.373411914828679e-09 -9.959274070788673e-11 -3.6481561655616e-12 ] [ 5.231124290854829e-10 -1.571513683978143e-09 -1.768769664089487e-09 ] [ -2.269768370801703e-10 -1.871447235663062e-09 2.93980071644987e-09 ] [ -3.252490638171936e-10 8.822452853853274e-10 1.351721167083302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.651726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.87225385091675e-18 } }