{ "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" [ [ 0.4138373 0.6756507 -0.0108454 ] [ -0.8945313 -0.0101365 -0.8835418 ] [ 0.8027902 0.4300955 -0.4466625 ] [ -0.1984873 -0.6019771 0.8299188 ] [ 0.2287687 0.6432501 0.431147 ] [ -0.3757177 -1.0212297 0.7872288 ] [ -1.1487035 0.0174657 -0.2187379 ] [ 1.1720436 -0.1331188 -0.4885068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.630404468749959e-10 1.082511755367155e-09 -1.737624632322432e-11 ] [ -1.433197135433831e-09 -1.62404633167392e-11 -1.41559001545955e-09 ] [ 1.286211689847356e-09 6.890889548112864e-10 -7.156322148880801e-10 ] [ -3.180117115857159e-10 -9.644736358769838e-10 1.329676498522391e-09 ] [ 3.66527862710809e-10 1.030600271547262e-09 6.907736435280576e-10 ] [ -6.019661149607481e-10 -1.636190349806598e-09 1.261279578580439e-09 ] [ -1.840425891931133e-09 2.798313620590656e-11 -3.504567494628884e-10 ] [ 1.877820854478267e-09 -2.132798291489511e-10 -7.826741740618215e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 669.17348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.072134104915377e-16 } }