{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44445e-10 0.0 0.0 ] "source-value" [ 5.44445 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] "source-value" [ 0.167308 5.39053 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] "source-value" [ 0.00577721 0.0671422 5.23553 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.585378779273499e-10 5.407467860623181e-10 1.356015256775306e-08 ] [ -5.018867771913582e-09 5.506867378830599e-09 -1.306854213538574e-08 ] [ -1.232117881252272e-09 -1.698276776692205e-10 4.937203868245435e-09 ] [ -1.081326048537165e-08 5.791449835440986e-09 -1.702171555905006e-08 ] [ 1.277447142860932e-09 -5.405426367172957e-09 5.77856112561496e-09 ] [ 1.22000590665201e-09 2.450726049020296e-09 -6.641283087787528e-09 ] [ 6.152908090888258e-09 -1.485698588750801e-08 1.270616503164644e-08 ] [ 7.55534728042662e-09 6.142450043213649e-09 -2.505419712542208e-10 ] ] "source-value" [ [ 0.5358572 0.3375076 8.4635816 ] [ -3.1325309 3.4371163 -8.1567425 ] [ -0.7690275 -0.1059981 3.0815603 ] [ -6.7491064 3.6147387 -10.6241193 ] [ 0.7973198 -3.3738018 3.6066942 ] [ 0.7614678 1.5296229 -4.1451629 ] [ 3.8403432 -9.2730013 7.9305645 ] [ 4.7156769 3.8338158 -0.156376 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.244048589170557e-18 "source-value" -26.489268 } }