{ "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" [ [ 2.0500768 1.3441969 -2.2719558 ] [ -0.9371032 2.5156282 -0.9451493 ] [ 0.4188164 -0.1402055 -2.5652782 ] [ -0.4453964 -0.5287735 3.3832174 ] [ 0.9158244 0.3677641 -0.3337229 ] [ -1.1778667 0.3545678 2.2380503 ] [ 0.1589291 -0.7282479 -1.0593771 ] [ -0.9832804 -3.1849301 1.5542157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.284585119804477e-09 2.153640846931836e-09 -3.640074466250961e-09 ] [ -1.501404838316867e-09 4.030480688665187e-09 -1.514296111625485e-09 ] [ 6.710178444876211e-10 -2.246339742075744e-10 -4.110028757887907e-09 ] [ -7.136036990684852e-10 -8.471885393985888e-10 5.420511821363763e-09 ] [ 1.467312442438188e-09 5.892230429895533e-10 -5.346830282055763e-10 ] [ -1.887150489158847e-09 5.680802396484902e-10 3.585751866834426e-09 ] [ 2.546324883847853e-10 -1.166781759526696e-09 -1.697309222230904e-09 ] [ -1.575388868570872e-09 -5.102820545102206e-09 2.490128058220307e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.820121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.739016042042712e-18 } }