{ "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" [ [ 0.7654242 0.6338934 0.6448379 ] [ -1.9436269 -0.4245391 -1.0735511 ] [ 1.0231222 -1.3694875 1.1748709 ] [ 0.3727412 0.0377433 -0.3021689 ] [ 1.0719614 0.3142993 2.3009128 ] [ -1.6747406 0.376777 0.4532916 ] [ 1.0214408 -0.7844354 -2.185991 ] [ -0.6363225 1.2157491 -1.0122021 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.226344768338143e-09 1.015609193926815e-09 1.033144216097628e-09 ] [ -3.114033604393854e-09 -6.801866262393894e-10 -1.720018487824997e-09 ] [ 1.639222482566675e-09 -2.194160873055075e-09 1.88235070394655e-09 ] [ 5.971972411691207e-10 6.047143335005219e-11 -4.841279511014825e-10 ] [ 1.717471507629927e-09 5.035629945425562e-10 3.686468725031515e-09 ] [ -2.68323025733114e-09 6.03663305628618e-10 7.262532099084743e-10 ] [ 1.636528582774267e-09 -1.256804068762443e-09 -3.502343702334293e-09 ] [ -1.019501041188465e-09 1.947844800826529e-09 -1.621726553505731e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4162106015624758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.668429006464826e-20 } }