{ "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" [ [ -0.1746893 0.2036401 -0.080998 ] [ -0.3685301 0.3195118 -1.4296729 ] [ -0.6237468 0.5668917 -0.1778625 ] [ 1.1994575 0.0247845 0.2596105 ] [ 0.2218791 -1.6381607 1.4629557 ] [ -0.5458873 0.2713668 1.1840854 ] [ 0.2125399 0.1467738 -1.169598 ] [ 0.078977 0.105192 -0.0485201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.798831123639174e-10 3.26267407277374e-10 -1.297731019315584e-10 ] [ -5.904503102810862e-10 5.119143360297255e-10 -2.290588495771336e-09 ] [ -9.993525402588135e-10 9.082606282655673e-10 -2.8496713921704e-10 ] [ 1.921742764143216e-09 3.970914645821761e-11 4.159418736141984e-10 ] [ 3.554895066641453e-10 -2.624622774653363e-09 2.343913419806098e-09 ] [ -8.746078696516358e-10 4.347775426213095e-10 1.897113944910616e-09 ] [ 3.405264587671699e-10 2.35157550905975e-10 -1.873902571334438e-09 ] [ 1.265351029809216e-10 1.685361630951936e-10 -7.773776985887809e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 147.03442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.35575110176888e-17 } }