{ "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" [ [ 1.0088292 1.5390731 0.0412379 ] [ -2.1345503 0.0512121 -2.09631 ] [ 1.8782546 0.958 -1.054781 ] [ -0.4646953 -1.3543894 1.9444062 ] [ 0.5243563 1.4699855 1.0301822 ] [ -0.7972632 -2.3747511 1.8100907 ] [ -2.729265 -0.0400211 -0.5741448 ] [ 2.7143336 -0.249109 -1.1006813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.616322571936913e-09 2.465866958837945e-09 6.607039981522859e-11 ] [ -3.41992661475769e-09 8.20508299980714e-11 -3.35865889962054e-09 ] [ 3.009295632823016e-09 1.534885215372e-09 -1.689945472187154e-09 ] [ -7.445239515896201e-10 -2.169971050017279e-09 3.11528218064473e-09 ] [ 8.40111411750694e-10 2.355176420418806e-09 1.650533849602715e-09 ] [ -1.277356470188069e-09 -3.804770723985797e-09 2.900085024960703e-09 ] [ -4.372764610994009e-09 -6.412087128697739e-11 -9.198813830926031e-10 ] [ 4.348841870801102e-09 -3.99116619119106e-10 -1.763485860340744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -330.58088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.296489615831578e-17 } }