{ "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" [ [ 2.1554836000000006 -1.3485598000000003 0.6366324000000001 ] [ -0.6188344000000001 -0.12114240000000003 -0.5170927000000001 ] [ 0.5193526000000002 -1.6741275000000004 1.2456397000000001 ] [ -0.4557505000000001 1.9223362000000004 0.9699128000000002 ] [ 0.6328876000000001 -0.6048667000000001 0.6530047000000001 ] [ -1.0222579000000003 1.1209601000000002 -1.0779903000000002 ] [ 0.4127730000000001 -0.9171787000000002 -1.5479707000000005 ] [ -1.6236539000000005 1.6225788000000005 -0.36213570000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.45346543043782e-09 -2.160630983310724e-09 1.019997547323794e-09 ] [ -9.914820078267958e-10 -1.94091521067602e-10 -8.284738347263483e-10 ] [ 8.320945936716943e-10 -2.682247940738353e-09 1.995734805280326e-09 ] [ -7.301927960179106e-10 3.079922116957514e-09 1.553971612374667e-09 ] [ 1.013997716314222e-09 -9.691032854404476e-10 1.046228863612518e-09 ] [ -1.637837707808105e-09 1.79597606506963e-09 -1.727130856109178e-09 ] [ 6.613352502974785e-10 -1.469482270235737e-09 -2.480122465223412e-09 ] [ -2.601380318850742e-09 2.59965781876572e-09 -5.802053520970426e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.186245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.035281290474089e-18 } }