{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7273886 2.0938452 5.3595595 ] [ -2.5104455 0.6374444 -6.484411 ] [ -0.9634225 0.0448476 -0.4672618 ] [ -0.8723287 -3.3335312 1.1829181 ] [ 1.0393654 -1.8726444 -1.4600103 ] [ -0.1668567 0.8569372 1.7807518 ] [ -3.854845 -0.2003895 0.1012354 ] [ 5.6011444 1.7734908 -0.0127816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.767581629956443e-09 3.3547098270143e-09 8.586960928686538e-09 ] [ -4.022177087892566e-09 1.021298514739884e-09 -1.038917170385835e-08 ] [ -1.543573005452688e-09 7.185377621899008e-11 -7.486359317529255e-10 ] [ -1.397624648792857e-09 -5.340905753347369e-09 1.895243724141157e-09 ] [ 1.665246944348441e-09 -3.000307076752043e-09 -2.339194368787194e-09 ] [ -2.673339037638394e-10 1.372964747333814e-09 2.853078901407517e-09 ] [ -6.176142535807776e-09 -3.210593719538016e-10 1.621969910773363e-10 ] [ 8.974022607404843e-09 2.841445496963889e-09 -2.047838069641728e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -216.70751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.472037060737822e-17 } }