{ "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" [ 5.30636 0 0 ] "si-unit" "m" "si-value" [ 5.30636e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0781877 5.44815 0 ] "si-unit" "m" "si-value" [ -7.81877e-12 5.44815e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00200818 -0.0968672 5.44923 ] "si-unit" "m" "si-value" [ -2.00818e-13 -9.686720000000001e-12 5.44923e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.18624340000000003 1.3385645000000002 -1.1239204000000003 ] [ 0.4835287000000001 0.15170780000000003 0.4963047000000001 ] [ 0.7746809000000002 1.0557827000000002 -2.0861049000000005 ] [ 0.8122537000000002 -0.20987370000000005 0.6637304000000002 ] [ -0.4070058000000001 -0.7073852000000002 -1.6129682000000005 ] [ -0.20284530000000006 -1.1457617000000002 2.1644856000000003 ] [ -1.2841412000000003 -0.44287710000000013 -0.9486212000000003 ] [ -0.36271450000000005 -0.04015730000000001 2.4470940000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.983948212583028e-10 2.144616747332842e-09 -1.800718988520185e-09 ] [ 7.746983786258172e-10 2.430626903530023e-10 7.95167787133158e-10 ] [ 1.241175626560303e-09 1.6915503585851e-09 -3.342308499316323e-09 ] [ 1.301373888298297e-09 -3.362547354607931e-10 1.063413329394233e-09 ] [ -6.520951772900008e-10 -1.133356029339932e-09 -2.584259940133859e-09 ] [ -3.249939972991623e-10 -1.835712608748064e-09 3.467888224378261e-09 ] [ -2.057421008446058e-09 -7.095673355077039e-10 -1.519858708635241e-09 ] [ -5.811326919251617e-10 -6.433908721445185e-11 3.920676795699956e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.522912 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.652703883393577e-18 } }