{ "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" [ [ 1.4888012 -0.075191 1.0944286 ] [ -0.5493413 0.4528019 -0.6362332 ] [ -0.8040087 -1.1107898 -2.3961561 ] [ -0.2259101 2.9898225 -2.8054204 ] [ -0.7106554 -1.4374571 -0.4406104 ] [ 0.244731 0.4681205 0.962156 ] [ -0.2151916 -2.6058407 1.7825292 ] [ 0.7715749 1.3185336 2.4393063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.385322475658985e-09 -1.204692622945728e-10 1.753467916054875e-09 ] [ -8.801417876998791e-10 7.254686180338194e-10 -1.019357958416771e-09 ] [ -1.288163942059801e-09 -1.779681448183108e-09 -3.839065283207307e-09 ] [ -3.619478806225901e-10 4.790223709841808e-09 -4.494778976395384e-09 ] [ -1.138595467325272e-09 -2.303060159022968e-09 -7.059356817613364e-10 ] [ 3.921022865850048e-10 7.500117208172065e-10 1.541543848762445e-09 ] [ -3.447749505125453e-10 -4.175017047069106e-09 2.855926610133327e-09 ] [ 1.236199265976098e-09 2.112523707659259e-09 3.908199524830151e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.601157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.383498817723027e-18 } }