{ "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" [ [ 0.4119564 1.1302414 0.3181774 ] [ -0.9185789 -0.215114 -1.3943099 ] [ 1.1136928 1.1634725 -1.0105365 ] [ -0.4271842 -1.1598964 1.392689 ] [ -0.0463555 1.2815204 0.8793671 ] [ -0.0138508 -1.8920362 0.9175304 ] [ -1.2055107 0.3283278 -0.6778764 ] [ 1.0858309 -0.6365154 -0.4250411 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.600269128689331e-10 1.810846346940261e-09 5.097763915469299e-10 ] [ -1.471725637940181e-09 -3.446506216067712e-10 -2.233930723929986e-09 ] [ 1.78433256691329e-09 1.864088438443728e-09 -1.619057954765059e-09 ] [ -6.844245380151513e-10 -1.858358894630085e-09 2.231333755845331e-09 ] [ -7.426969834549441e-11 2.053222023958264e-09 1.408901408720696e-09 ] [ -2.219142793937664e-11 -3.031376165347273e-09 1.470045755753272e-09 ] [ -1.931441059664243e-09 5.260391251186983e-10 -1.086077719872069e-09 ] [ 1.739692882122223e-09 -1.01981009265916e-09 -6.809909132991149e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.062808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.534851516679921e-18 } }