{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2709332 -3.1292504 -3.4803449 ] [ 3.0856873 3.2741266 1.4751124 ] [ -0.4641054 0.1735009 -0.5291806 ] [ 0.7473246 0.2152315 1.9242907 ] [ 0.0690007 -0.9814593 -1.783679 ] [ 0.0511192 0.2728906 0.2299039 ] [ -1.1250696 -0.0009689 0.426087 ] [ -0.0930237 0.1759288 1.7378105 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.638436080438531e-09 -5.013611831509048e-09 -5.576127231100513e-09 ] [ 4.943816051159476e-09 5.245729092059394e-09 2.363390600332178e-09 ] [ -7.435788214670324e-10 2.779790856677587e-10 -8.478407855009165e-10 ] [ 1.197346002268712e-09 3.448388773597152e-10 3.083053571162867e-09 ] [ 1.105513083588346e-10 -1.572471144726733e-09 -2.857768792811923e-09 ] [ 8.190198711399936e-11 4.372189393560845e-10 3.683466536107411e-10 ] [ -1.802560209892808e-09 -1.55234892789312e-12 6.826666298268096e-10 ] [ -1.49040397320313e-10 2.81869010285399e-10 2.784279354480758e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.615414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.385783040931302e-18 } }