{ "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" [ [ -1.076133 -0.7598424 -0.7832538 ] [ 1.4530176 0.9169565 1.181087 ] [ -0.6101375 1.1688034 -1.1494042 ] [ -0.4648668 0.1084407 0.3745293 ] [ -0.8367572 -0.9193197 -2.1726043 ] [ 1.6896079 -0.4337323 -0.7493531 ] [ -0.7081417 0.5817045 2.5264882 ] [ 0.5534108 -0.6630107 0.7725109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.724155133471366e-09 -1.217401728772562e-09 -1.254910926512759e-09 ] [ 2.327990828330926e-09 1.469126266590595e-09 1.89230997853081e-09 ] [ -9.7754803797336e-10 1.872629481791551e-09 -1.841548537089327e-09 ] [ -7.447987187461095e-10 1.737411542831865e-10 6.000620882645894e-10 ] [ -1.34063282312607e-09 -1.47291253038087e-09 -3.48089581570955e-09 ] [ 2.707050275698984e-09 -6.949157507458119e-10 -1.200596017544005e-09 ] [ -1.134568075953567e-09 9.319933501141534e-10 4.047880326767075e-09 ] [ 8.866618454582246e-10 -1.062260242880243e-09 1.237698903293167e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.033758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.773244462716497e-18 } }