{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5965719 -1.0089461 -1.2763553 ] [ 2.2435907 1.2511527 1.6817005 ] [ -1.1167265 1.7872505 -1.7112041 ] [ -0.5040272 0.1584597 0.6485769 ] [ -1.2232314 -1.1974019 -3.2900845 ] [ 2.4127357 -0.5254901 -1.1608762 ] [ -1.1353547 0.6716009 3.7765862 ] [ 0.9195854 -1.1366256 1.3316565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.557990171606236e-09 -1.616509853067339e-09 -2.044946621494171e-09 ] [ 3.594628566184306e-09 2.004567604990796e-09 2.69438122428767e-09 ] [ -1.789193090127811e-09 2.863490966613111e-09 -2.741651202437105e-09 ] [ -8.075405960872857e-10 2.538804266789818e-10 1.039134745970939e-09 ] [ -1.959832750908453e-09 -1.9184493298815e-09 -5.271296466356458e-09 ] [ 3.865628730709522e-09 -8.41927952681854e-10 -1.859928707283145e-09 ] [ -1.819038756655398e-09 1.076023260488239e-09 6.050758116075914e-09 ] [ 1.473338228709017e-09 -1.821074962922772e-09 2.133548911236355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.435211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.6773466617315e-18 } }