{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4960305 0.1343663 1.926027 ] [ -0.2165376 -0.6130031 -0.2230406 ] [ 1.3837733 1.5138888 0.535225 ] [ -1.6362958 0.8728559 -3.3705478 ] [ -0.0166648 -0.0788173 -0.4206352 ] [ -2.2018823 0.8979407 -0.558415 ] [ 3.1668779 -2.3088133 1.6359413 ] [ -1.9753013 -0.4184179 0.4754453 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.396905091103734e-09 2.15278544483399e-10 3.085835430429561e-09 ] [ -3.469314802441421e-10 -9.821392352979245e-10 -3.573504348092045e-10 ] [ 2.217049229747265e-09 2.425517241850967e-09 8.575249818676799e-10 ] [ -2.621634875473233e-09 1.398469316307343e-09 -5.400212884448875e-09 ] [ -2.669995295030784e-11 -1.262792353745799e-10 -6.739318833255322e-10 ] [ -3.527804342813332e-09 1.438659596404787e-09 -8.94679457704032e-10 ] [ 5.0738977323082e-09 -3.699126691052097e-09 2.621066903861159e-09 ] [ -3.164781561895847e-09 -6.703793771042323e-10 7.617473441292423e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.989243 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.766112373489006e-18 } }