{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6446821000000007 -2.0594902000000004 0.11131280000000003 ] [ -1.0331521000000001 -0.33106520000000006 -0.8574978000000002 ] [ 0.4210652000000001 -2.2526147000000005 1.7132233000000003 ] [ -1.1251736000000003 3.294973300000001 1.5625877000000004 ] [ 0.9457440000000003 -0.8813329000000002 1.0397279000000001 ] [ -1.4958739000000003 1.5956258000000005 -1.3852399000000002 ] [ 0.7406305000000001 -1.4470174000000002 -2.1015150000000005 ] [ -2.0979222000000006 2.0809213000000004 -0.08259910000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.839424498978052e-09 -3.299667076391987e-09 1.783427672251152e-10 ] [ -1.655292153988031e-09 -5.304249277705369e-10 -1.373862938866405e-09 ] [ 6.746208248305368e-10 -3.60908663774492e-09 2.744886340084372e-09 ] [ -1.802726851113663e-09 5.279129230913873e-09 2.503541501515802e-09 ] [ 1.515248938545696e-09 -1.412050979155459e-09 1.665827747097889e-09 ] [ -2.396654209990453e-09 2.556474373367558e-09 -2.219399000264496e-09 ] [ 1.186620881527737e-09 -2.318377467271432e-09 -3.36699822900051e-09 ] [ -3.361241928789875e-09 3.334003484052905e-09 -1.323383480094294e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.684131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.717228089279505e-18 } }