{ "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" [ [ 0.909086 0.0152586 0.6707815 ] [ -0.3560947 0.0725125 -0.2586976 ] [ -0.533448 -0.5922304 -1.5245121 ] [ -0.4089267 1.9956052 -1.695502 ] [ -0.5146286 -0.6891694 -0.4723749 ] [ 0.2767132 0.1202333 0.5871815 ] [ -0.0142147 -1.753309 1.1678668 ] [ 0.6415136 0.8310992 1.5252568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.456516335496589e-09 2.444697218613888e-11 1.074710436965155e-09 ] [ -5.705266031307897e-10 1.1617783221576e-10 -4.144792465770701e-10 ] [ -8.546779140125185e-10 -9.488577010070323e-10 -2.442537644746711e-09 ] [ -6.551727983608953e-10 3.197311995786908e-09 -2.716493664919642e-09 ] [ -8.245259113150349e-10 -1.104171100450764e-09 -7.568280210327379e-10 ] [ 4.433434197067546e-10 1.926349823016327e-10 9.407684714662753e-10 ] [ -2.277446001168576e-11 -2.809110688838227e-09 1.87112888316851e-09 ] [ 1.027818091845243e-09 1.331567707805583e-09 2.443730785676221e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.335502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.821589180943164e-18 } }