{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "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" [ [ 2.020761124532546e-09 1.818105168338458e-10 -4.867499732398572e-09 ] [ 1.337879482603225e-09 3.914642197457712e-09 -9.387958716107464e-10 ] [ 1.556259841024493e-09 -2.459626300366503e-10 1.151728829521294e-09 ] [ 1.323166374259094e-09 -5.83256377036032e-11 1.130579617473748e-09 ] [ 1.008018072730072e-09 -1.250096385767255e-09 4.145636973067525e-09 ] [ -5.556302057812398e-10 -3.506374429421821e-09 -2.239909406208163e-09 ] [ -4.385361688648752e-09 1.03302260238025e-09 -2.105667032592883e-10 ] [ -2.305093000719438e-09 -6.871623374247743e-11 1.828826453631865e-09 ] ] "source-value" [ [ 1.2612599 0.1134772 -3.0380544 ] [ 0.8350387 2.4433275 -0.5859503 ] [ 0.971341 -0.1535178 0.7188526 ] [ 0.8258555 -0.036404 0.7056523 ] [ 0.6291554 -0.7802488 2.5875031 ] [ -0.3467971 -2.1885068 -1.3980415 ] [ -2.7371275 0.644762 -0.1314254 ] [ -1.4387259 -0.0428893 1.1414637 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.73766797063397e-18 "source-value" -35.811707 } }