{ "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" [ [ 0.4021718 2.5897278 0.5443072 ] [ -2.1659124 -0.0007457 -2.8516743 ] [ 3.5517296 4.3171606 -3.7886746 ] [ -1.0591295 -3.4132765 3.0251189 ] [ 0.7113549 3.932877 2.6241774 ] [ -1.8470056 -6.158729 2.6572051 ] [ -3.1516507 0.8023132 -1.4553206 ] [ 3.5584418 -2.0693273 -0.755139 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.443502608137211e-10 4.149201369580225e-09 8.720762775579647e-10 ] [ -3.470174238570861e-09 -1.1947431159738e-12 -4.568885931238306e-09 ] [ 5.690498175406166e-09 6.91685383854542e-09 -6.070125917949295e-09 ] [ -1.696912537280103e-09 -5.468671853681301e-09 4.846774816651782e-09 ] [ 1.139716199261407e-09 6.301163633796017e-09 4.204395713750871e-09 ] [ -2.95922921518715e-09 -9.867371698938186e-09 4.257311922965633e-09 ] [ -5.049501110069742e-09 1.285447462189769e-09 -2.33168066029886e-09 ] [ 5.7012523054089e-09 -3.315427848158308e-09 -1.209866061222126e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.481204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684715599498733e-18 } }