{ "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" [ [ -0.1201181 0.2078998 -0.0440479 ] [ -0.3530073 0.2779887 -1.2189765 ] [ -0.5259495 0.4587395 -0.2017513 ] [ 1.021043 0.0263606 0.1977671 ] [ 0.1734568 -1.4254351 1.2625381 ] [ -0.4691553 0.2390691 1.0121934 ] [ 0.1880152 0.0968118 -1.0016678 ] [ 0.0857151 0.1185656 -0.0060552 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.924504115549165e-10 3.330921990289959e-10 -7.057251557533632e-11 ] [ -5.655800430317319e-10 4.453869959865849e-10 -1.953015649604611e-09 ] [ -8.426639926214496e-10 7.349817019374816e-10 -3.23241216076007e-10 ] [ 1.635891223431494e-09 4.223433703026049e-11 3.168578239834157e-10 ] [ 2.779084296787815e-10 -2.28379879168771e-09 2.022809026689253e-09 ] [ -7.516696531844103e-10 3.830309227756973e-10 1.621712601208063e-09 ] [ 3.012335577950361e-10 1.551096025775655e-10 -1.60484873096817e-09 ] [ 1.373307292695341e-10 1.899630323511245e-10 -9.70149987426816e-12 ] ] } "unrelaxed-potential-energy" { "source-value" 634.14516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.016012549545475e-16 } }