{ "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" [ [ -10.542052 -9.5704302 -13.7855469 ] [ 17.5405387 10.794281 8.359654 ] [ -5.1778098 3.35179 -2.1156877 ] [ -6.445496 4.0760015 0.8641362 ] [ -6.2194254 -3.1294407 -13.240606 ] [ 21.9059878 -9.6280482 -4.3972538 ] [ -10.6555333 8.2026453 20.9706676 ] [ -0.4062099 -4.0967987 3.3446367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.689022924965788e-08 -1.533351951743827e-08 -2.208688094812191e-08 ] [ 2.810304102137763e-08 1.729434465654565e-08 1.33936421967772e-08 ] [ -8.295765808509124e-09 5.370159575831232e-09 -3.389705369854124e-09 ] [ -1.032682300065992e-08 6.530474309645732e-09 1.384498816826953e-09 ] [ -9.964617970689688e-09 -5.013916725719986e-09 -2.12137893784242e-08 ] [ 3.509726150869002e-08 -1.542583372997552e-08 -7.045177234083959e-09 ] [ -1.707204633541587e-08 1.3142086528375e-08 3.359871335128805e-08 ] [ -6.50820004917506e-10 -6.563795097263833e-09 5.358698725809663e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.334057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.020269356021459e-18 } }