{ "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" [ [ -1.0812654 -0.5507939 -0.8682599 ] [ 1.4956637 0.7913855 1.1364841 ] [ -0.8776217 1.4329331 -1.365863 ] [ -0.2501306 0.0667182 0.6873119 ] [ -0.8151179 -0.8567647 -2.3905844 ] [ 1.4224152 -0.2230753 -0.9969212 ] [ -0.6770466 0.27048 2.757959 ] [ 0.7831032 -0.9308828 1.0398735 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.73237814475996e-09 -8.82469109459253e-10 -1.391105712558146e-09 ] [ 2.396317412719225e-09 1.267939346140118e-09 1.82084825493093e-09 ] [ -1.406104969646751e-09 2.295811911990469e-09 -2.188353765815751e-09 ] [ -4.007533994666765e-10 1.068943402218586e-10 1.101195057377628e-09 ] [ -1.305962842575592e-09 -1.372688371866726e-09 -3.830138435729195e-09 ] [ 2.278960378510556e-09 -3.574060303379462e-10 -1.597243839419881e-09 ] [ -1.084748233712129e-09 4.33356732393984e-10 4.418737430924947e-09 ] [ 1.254669638713667e-09 -1.491438658864842e-09 1.666061010289469e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.126523 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.346148095419348e-18 } }