{ "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" [ [ 0.86479 2.0794078 0.7010154 ] [ -1.6319496 -0.5712795 -2.8302142 ] [ 2.1117201 2.1420283 -1.7981335 ] [ -1.023318 -2.0496938 2.8734586 ] [ -0.5557024 2.4379445 1.6134189 ] [ 0.5436889 -3.4602241 1.8403229 ] [ -2.0521266 0.6440618 -1.3837199 ] [ 1.7428976 -1.222245 -1.0161482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.385546319901632e-09 3.331578562269162e-09 1.12315048470076e-09 ] [ -2.614671495443912e-09 -9.152906588423137e-10 -4.534503023096175e-09 ] [ 3.383348573893438e-09 3.431907663351969e-09 -2.880927454777277e-09 ] [ -1.639536175243814e-09 -3.283971486158711e-09 4.603788189756699e-09 ] [ -8.9033339340245e-10 3.906017680707946e-09 2.584982041136853e-09 ] [ 8.710856445684692e-10 -5.543890155748722e-09 2.948522325102857e-09 ] [ -3.287869261441793e-09 1.031900758310366e-09 -2.216963673515714e-09 ] [ 2.79242978716843e-09 -1.958252363889696e-09 -1.628048889308003e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.796761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.735273357456523e-18 } }