{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.803383507952073e-09 -3.811671107127206e-09 -5.494609125504859e-09 ] [ 8.392819900361354e-09 4.629590122711049e-09 4.254085745046883e-09 ] [ -3.35212631721326e-09 3.783982450984203e-09 -3.337343674403787e-09 ] [ -2.531720563296275e-09 1.417180335973356e-09 1.457962780549847e-09 ] [ -3.439383099029297e-09 -2.420836963506286e-09 -8.810883216039152e-09 ] [ 8.895761887096938e-09 -3.095242770676251e-09 -3.010403192728015e-09 ] [ -4.328569013535931e-09 2.627194268129747e-09 1.191803384401417e-08 ] [ 1.166600553350884e-09 -3.130196176270948e-09 3.023156839064907e-09 ] ] "source-value" [ [ -2.9980362 -2.379058 -3.4294653 ] [ 5.2383862 2.8895629 2.6551915 ] [ -2.0922327 2.3617761 -2.0830061 ] [ -1.5801757 0.8845344 0.9099888 ] [ -2.1466941 -1.5109676 -5.4993208 ] [ 5.5522979 -1.9318986 -1.8789459 ] [ -2.7016803 1.6397657 7.4386517 ] [ 0.7281348 -1.9537148 1.8869061 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.557260159431635e-18 "source-value" -34.68569 } }