{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -7.819225930090042e-10 7.634831422802171e-10 2.958113435007952e-09 ] [ -2.770451128284296e-09 -1.289638425203923e-09 5.445407403003725e-10 ] [ -1.5364873793472e-12 -8.12555889563376e-10 -9.507884840527584e-10 ] [ 2.042415663086292e-09 4.130191830225351e-10 -3.550649298596333e-10 ] [ -2.58763925106245e-09 -1.060611122484453e-09 3.275456237854484e-10 ] [ 2.16457762498074e-09 -3.101858798814182e-10 3.167597707742227e-10 ] [ -7.201718221254547e-10 8.444081220908524e-10 -2.088177832817892e-09 ] [ 2.654727993793518e-09 1.452080869739566e-09 -7.529281629200487e-10 ] ] "source-value" [ [ -0.48803770000000013 0.47652870000000014 1.8463092000000005 ] [ -1.7291796000000004 -0.8049290000000002 0.33987560000000006 ] [ -0.0009590000000000002 -0.5071575000000001 -0.5934355000000001 ] [ 1.2747756000000001 0.2577863000000001 -0.22161410000000006 ] [ -1.6150774000000006 -0.6619814000000002 0.20443790000000006 ] [ 1.3510231000000001 -0.19360280000000005 0.19770590000000005 ] [ -0.4494959000000001 0.5270381000000001 -1.3033381000000002 ] [ 1.6569509000000004 0.9063176000000002 -0.4699408000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.790853345085062e-18 "source-value" -36.143664 } }