{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0094771 0.80835 0.0447034 ] [ -0.9626454 0.5976759 -1.0299677 ] [ 3.2079567 3.5196777 -3.133668 ] [ -1.230526 -1.9628877 1.5306232 ] [ 0.1468564 3.2135592 1.8677338 ] [ -2.5039953 -4.3600033 2.2716071 ] [ -1.6028403 0.0334768 -0.5825682 ] [ 2.954671 -1.8498487 -0.9684636 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.518398805298368e-11 1.29511947142368e-09 7.162274235027072e-11 ] [ -1.542327954000664e-09 9.575823537955987e-10 -1.650190169119148e-09 ] [ 5.13971322527872e-09 5.639145323691115e-09 -5.020689606949095e-09 ] [ -1.971519988486541e-09 -3.144892782195884e-09 2.452328706294083e-09 ] [ 2.352898906948531e-10 5.148689419796752e-09 2.992439428237943e-09 ] [ -4.011842728253083e-09 -6.985495353870848e-09 3.639515787263288e-09 ] [ -2.568033255536059e-09 5.363574629919745e-11 -9.333771500615386e-10 ] [ 4.733904798355757e-09 -2.963784339157273e-09 -1.551649738015803e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -64.425276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.032206709957873e-17 } }