{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3720023 -0.0604985 1.8269857 ] [ -0.0503751 -0.4335305 -0.0217176 ] [ 0.2995354 0.3791914 -0.5954779 ] [ -0.6573243 2.1175291 -2.480169 ] [ -0.1884594 -0.2104937 -0.5727983 ] [ -2.083309 1.1417945 -0.3787596 ] [ 3.1206557 -2.6765384 1.4963477 ] [ -1.8127257 -0.2574539 0.7255891 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.198190026854258e-09 -9.6929283092049e-11 2.927153799192134e-09 ] [ -8.070980815541339e-11 -6.945924372263369e-10 -3.47954312665584e-11 ] [ 4.799086189358436e-10 6.075316008937475e-10 -9.540607774433885e-10 ] [ -1.053149634420406e-09 3.392655645835049e-09 -3.973668820171146e-09 ] [ -3.019452471376595e-10 -3.372480877442057e-10 -9.177240522549221e-10 ] [ -3.337829001201905e-09 1.829356468729713e-09 -6.068397810231863e-10 ] [ 4.999841645298913e-09 -4.288287284483745e-09 2.397413321279642e-09 ] [ -2.904306760391294e-09 -4.124866229121726e-10 1.162521901905089e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.246155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.486838934534227e-18 } }