{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1884505 1.2821633 -4.0621431 ] [ 0.4174012 0.2940033 -3.6641187 ] [ 2.5906714 7.6929251 -1.8107418 ] [ 0.1632938 -0.5393182 0.16544 ] [ 2.1810326 -1.4905454 4.2255177 ] [ -4.6760803 -4.2480078 7.181987 ] [ -1.545933 -0.4796115 -3.1946245 ] [ -0.3188362 -2.5116088 1.1586834 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.904107621765617e-09 2.054252080232332e-09 -6.508270758784324e-09 ] [ 6.687504496435607e-10 4.710452175788921e-10 -5.870565365342456e-09 ] [ 4.150713183452067e-09 1.232542484233211e-08 -2.901128202167101e-09 ] [ 2.616255108370692e-10 -8.640830183309387e-10 2.6506410232896e-10 ] [ 3.494399469712268e-09 -2.388117011796183e-09 6.770025725493421e-09 ] [ -7.49190659536771e-09 -6.806058838209744e-09 1.150681175709176e-08 ] [ -2.476857730329522e-09 -7.68422338697691e-10 -5.118352728303933e-09 ] [ -5.108319097133508e-10 -4.024040933108778e-09 1.856415469683675e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.390678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.708905754901785e-18 } }