{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9892363 2.6499642 -2.4412409 ] [ -1.1809208 0.0617215 -1.043234 ] [ -2.0332697 -1.1772134 -2.3307317 ] [ 0.971019 2.7798835 2.6231368 ] [ 1.0803693 -1.5807128 1.4071025 ] [ 1.1389364 -1.8357433 -1.4690491 ] [ -1.5797847 0.5097708 -0.2257373 ] [ -1.3855858 -1.4076705 3.4797538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.789284513906696e-09 4.245710687196975e-09 -3.911299095720751e-09 ] [ -1.892043696776433e-09 9.88887443007072e-11 -1.671445124823667e-09 ] [ -3.25765717712103e-09 -1.886103787172479e-09 -3.734243839097439e-09 ] [ 1.555743940152595e-09 4.453864352247678e-09 4.202728454120126e-09 ] [ 1.730942434290062e-09 -2.532581092359306e-09 2.254426728569232e-09 ] [ 1.824777272658117e-09 -2.941184997050241e-09 -2.353676122827282e-09 ] [ -2.531094112237542e-09 8.167428577265126e-10 -3.616710245025159e-10 ] [ -2.219953174872465e-09 -2.255336764889847e-09 5.575180184499959e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.356956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.664808828585428e-18 } }