{ "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" [ [ -1.2043454 -0.7694601 -1.1978029 ] [ 1.9054668 0.9937126 1.3120436 ] [ -0.7430767 1.4659183 -1.2234201 ] [ -0.6595321 0.1493917 0.4894588 ] [ -0.9226265 -0.8939491 -2.601712 ] [ 2.043655 -0.5820001 -0.989473 ] [ -0.9304865 0.5682495 3.2727501 ] [ 0.5109454 -0.9318628 0.9381555 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.929574043248024e-09 -1.23281098285843e-09 -1.91909180270644e-09 ] [ 3.052894358670589e-09 1.592103095514382e-09 2.102125581390267e-09 ] [ -1.190540116201215e-09 2.348660028262881e-09 -1.960135081636798e-09 ] [ -1.056686911287128e-09 2.393518890815674e-10 7.84199446204823e-10 ] [ -1.478210608030531e-09 -1.432264348205201e-09 -4.168402140454809e-09 ] [ 3.274296261981024e-09 -9.324669535232621e-10 -1.585310507512838e-09 ] [ -1.490803716270019e-09 9.104360636812896e-10 5.243523695940863e-09 ] [ 8.186247743853044e-10 -1.493008791953226e-09 1.503090808774934e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.791041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734356912429426e-18 } }