{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.30636e-10 0.0 0.0 ] "source-value" [ 5.30636 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] "source-value" [ -0.0781877 5.44815 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] "source-value" [ -0.00200818 -0.0968672 5.44923 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.082347912072903e-10 2.885366445322865e-09 -2.311863158248291e-09 ] [ 1.054358468004119e-09 4.874040778670649e-10 1.022028786843644e-09 ] [ 1.810229188505929e-09 2.382982656921969e-09 -4.631634820514513e-09 ] [ 1.675954931575895e-09 -4.025840464736026e-10 1.501066458614553e-09 ] [ -9.586790436925364e-10 -1.495450028470339e-09 -3.620920765184621e-09 ] [ -4.289975302441113e-10 -2.739281903650266e-09 4.949192154810571e-09 ] [ -2.746648231099718e-09 -9.646775929608116e-10 -2.341176581702448e-09 ] [ -1.014452574256867e-09 -1.537596085568794e-10 5.433307925381105e-09 ] ] "source-value" [ [ 0.3796303000000001 1.8009041000000003 -1.4429515000000002 ] [ 0.6580788000000001 0.30421370000000003 0.6379002000000001 ] [ 1.1298562000000003 1.4873408000000001 -2.8908391000000004 ] [ 1.0460488000000001 -0.25127320000000003 0.9368920000000002 ] [ -0.5983604000000001 -0.9333865000000002 -2.2600010000000004 ] [ -0.26775920000000003 -1.7097253000000003 3.089042800000001 ] [ -1.7143230000000005 -0.6021044000000001 -1.4612475000000003 ] [ -0.6331715000000001 -0.09596920000000003 3.391204100000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.83636e-12 7.04735e-13 1.68371e-12 ] [ 1.29138e-10 1.3449e-10 1.40641e-10 ] [ -6.14737e-12 2.687530000000001e-10 2.83465e-10 ] [ 1.25782e-10 4.05715e-10 4.117560000000001e-10 ] [ 2.70205e-10 2.50121e-12 2.83894e-10 ] [ 3.96698e-10 1.43423e-10 4.044520000000001e-10 ] [ 2.67871e-10 2.79142e-10 9.589180000000001e-12 ] [ 4.00247e-10 4.11579e-10 1.29634e-10 ] ] "source-value" [ [ -0.0183636 0.00704735 0.0168371 ] [ 1.29138 1.3449 1.40641 ] [ -0.0614737 2.68753 2.83465 ] [ 1.25782 4.05715 4.11756 ] [ 2.70205 0.0250121 2.83894 ] [ 3.96698 1.43423 4.04452 ] [ 2.67871 2.79142 0.0958918 ] [ 4.00247 4.11579 1.29634 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.413584009655423e-18 "source-value" -33.788934 } }