{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5444755 0.0860944 -0.5291779 ] [ -0.2238072 0.6321705 -0.4503556 ] [ 0.005126 -0.1248614 -0.3998002 ] [ -0.084927 -0.1396161 0.629534 ] [ 0.2724736 0.1139216 0.3467407 ] [ -0.3249371 0.372121 0.5882277 ] [ -0.0552344 -0.3341651 -0.1417131 ] [ -0.1331694 -0.6056648 -0.0434555 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.723459166983904e-10 1.379384348618035e-10 -8.478364596240403e-10 ] [ -3.585786634067098e-10 1.012848795459446e-09 -7.215492133663565e-10 ] [ 8.2127573582208e-12 -2.000500159203571e-10 -6.405505334311641e-10 ] [ -1.360680538746816e-10 -2.236896513072749e-10 1.008624656798707e-09 ] [ 4.365508317052109e-10 1.825225241241293e-10 5.555398430198266e-10 ] [ -5.206066248505517e-10 5.962035663087168e-10 9.424446686469563e-10 ] [ -8.849526434391552e-11 -5.353915107072941e-10 -2.270494156810925e-10 ] [ -2.133608992859635e-10 -9.703819826015079e-10 -6.96233861451744e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 150.80555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.416171264968855e-17 } }