{ "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" [ [ -1.0471772 -0.9303926 -0.7423574 ] [ 1.6802288 1.049501 1.2479312 ] [ -0.9289591 1.2311376 -1.3362499 ] [ -0.6300585 0.1031302 -0.0111024 ] [ -0.6679286 -0.6135442 -2.3403468 ] [ 1.8297723 -0.390739 -0.2671862 ] [ -0.8321256 0.5732573 2.3005402 ] [ 0.596248 -1.0223503 1.1487713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.677762827674806e-09 -1.490653271885326e-09 -1.189387670557874e-09 ] [ 2.69202330095484e-09 1.681485965706221e-09 1.999406193006889e-09 ] [ -1.488356551699409e-09 1.972499879707822e-09 -2.140908349326338e-09 ] [ -1.009464998436317e-09 1.652327953384282e-10 -1.778800571476992e-11 ] [ -1.070139587283675e-09 -9.830061730674394e-10 -3.749648927524093e-09 ] [ 2.931618400447444e-09 -6.260328906347712e-10 -4.280794830403929e-10 ] [ -1.333212181889173e-09 9.184594437629318e-10 3.685871723650556e-09 ] [ 9.552946057987583e-10 -1.637985748927866e-09 1.840534519506023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.06253403877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.733719312853098e-18 } }