{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6927051 0.4055748 0.527449 ] [ -0.3178932 0.2150788 -0.5146603 ] [ -0.6195655 -0.2425838 -1.548735 ] [ -0.3623589 2.2595613 -1.3279673 ] [ -0.6823025 -1.2436179 -0.3516698 ] [ 0.3821264 0.2863402 0.4167873 ] [ 0.0906547 -2.2546177 0.9828926 ] [ 0.816634 0.5742643 1.8159034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.109835925472633e-09 6.498024678992231e-10 8.450664634266658e-10 ] [ -5.093210571474887e-10 3.445942278287592e-10 -8.2457670710743e-10 ] [ -9.92653367332527e-10 -3.886620961469291e-10 -2.48134702925799e-09 ] [ -5.805629627019425e-10 3.620216317950664e-09 -2.127638178776068e-09 ] [ -1.093169122819785e-09 -1.992495541004148e-09 -5.63437136443453e-10 ] [ 6.122339893145374e-10 4.587675778148867e-10 6.677668734079481e-10 ] [ 1.452448421022798e-10 -3.612295797542821e-09 1.574767557451508e-09 ] [ 1.308391913329956e-09 9.20072843200366e-10 2.909397997081155e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.378232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.828435329663108e-18 } }