{ "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" [ [ -0.0078929 -0.2706782 0.1171055 ] [ 0.2372118 0.1939316 0.0547856 ] [ -0.1421208 0.1153895 -0.2057066 ] [ -0.2318113 0.0306875 -0.2636395 ] [ 0.0225143 0.0052608 -0.2607482 ] [ 0.239052 -0.0617553 0.0632129 ] [ -0.0722321 0.173667 0.3203994 ] [ -0.0447209 -0.186503 0.1745909 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.264581985031232e-11 -4.336742838002265e-10 1.876236942670944e-10 ] [ 3.800552001378854e-10 3.107126755543373e-10 8.777620747650048e-11 ] [ -2.277026230893926e-10 1.848743591858016e-10 -3.295783052642573e-10 ] [ -3.71402645297255e-10 4.91667950508e-11 -4.223970432194016e-10 ] [ 3.607188509367744e-11 8.42873076670464e-12 -4.177646699556825e-10 ] [ 3.830035255554816e-10 -9.894289787049023e-11 1.012782305129683e-10 ] [ -1.157285818912877e-10 2.782452072044735e-10 5.133364279983475e-10 ] [ -7.165078044113473e-11 -2.988107463090624e-10 2.797254581844307e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 32.104866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.143766571911682e-18 } }