{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2359219 -0.0310509 0.3233576 ] [ -0.3849656 1.0951717 -2.403218 ] [ -1.5934402 0.5668606 0.1178911 ] [ 3.0003453 0.8169053 0.1094385 ] [ 0.1607327 -2.9420302 2.1080314 ] [ -0.1276569 0.8994325 1.471152 ] [ -0.5737182 -0.4754387 -1.5546489 ] [ 0.7546249 0.0701498 -0.1720035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.980165173314715e-09 -4.974902603479872e-11 5.180759868779981e-10 ] [ -6.167828841322445e-10 1.754658493501792e-09 -3.850379694285734e-09 ] [ -2.552972635082876e-09 9.082108005726605e-10 1.888823642203949e-10 ] [ 4.807083093987163e-09 1.30882657306761e-09 1.753398061154208e-10 ] [ 2.575221741380602e-10 -4.713652004127549e-09 3.377438624992294e-09 ] [ -2.045289006638035e-10 1.441049723487696e-09 2.357045340043162e-09 ] [ -9.191978869674586e-10 -7.617367697635449e-10 -2.490822121132437e-09 ] [ 1.209042372253538e-09 1.123923695137958e-10 -2.755799863957729e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.803752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.415958114972125e-18 } }