{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.6933397 0.6291933 -0.026218999999999996 ] [ -0.3706536 -1.0861046 0.3271511999999999 ] [ 0.2448748 0.2220965 1.0495067999999999 ] [ -4.9673059 -4.8856205 4.695771999999999 ] [ 4.580585 4.9501205 -4.228411499999999 ] [ -2.2749607 2.1241575 -2.5541558999999996 ] [ -1.1025579 -1.4322723 -2.7384639999999996 ] [ -0.8033215 -0.5215705 3.4748203999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.519559140812487e-09 1.008078795224001e-09 -4.200746882075519e-11 ] [ -5.938525323353549e-10 -1.740131397863336e-09 5.241540041066648e-10 ] [ 3.923326795830759e-10 3.558378198615072e-10 1.681495258330621e-09 ] [ -7.958501381341904e-09 -7.827626943201206e-09 7.523456115007255e-09 ] [ 7.338906196587168e-09 7.930967335242805e-09 -6.774662048421858e-09 ] [ -3.644888846778803e-09 3.403275485396976e-09 -4.092208868858382e-09 ] [ -1.766492490458344e-09 -2.294753193679444e-09 -4.387502997702451e-09 ] [ -1.287062926285987e-09 -8.356480611989665e-10 5.567276006358904e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -61.673864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.881242301519878e-18 } }