{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -9.58998677928386e-10 7.040340583301089e-10 5.825304628526799e-09 ] [ -4.320648493193344e-09 -1.989765095191225e-09 -2.800141704114989e-10 ] [ 2.182935204484205e-10 -1.189144940799823e-09 -1.451177242125435e-09 ] [ 3.074794671117967e-09 8.443289745657849e-10 -8.04240592901424e-10 ] [ -3.880535862642432e-09 -1.622609339462725e-09 7.946260912176653e-10 ] [ 2.691531432732254e-09 -3.165524491194912e-10 4.222063842015264e-10 ] [ -1.186292265326488e-09 1.072375104322677e-09 -2.330425335706232e-09 ] [ 4.361855674792009e-09 2.497333687354692e-09 -2.176279762801401e-09 ] ] "source-value" [ [ -0.5985599000000001 0.43942350000000013 3.635869200000001 ] [ -2.6967367000000007 -1.2419137000000002 -0.17477110000000004 ] [ 0.13624810000000004 -0.7422059000000001 -0.9057536000000003 ] [ 1.9191359000000003 0.5269887000000001 -0.5019675000000001 ] [ -2.4220400000000004 -1.0127531000000003 0.4959666000000001 ] [ 1.6799218000000005 -0.19757650000000004 0.26352050000000005 ] [ -0.7404254000000001 0.6693239000000001 -1.4545371000000002 ] [ 2.7224562000000003 1.5587131000000005 -1.3583270000000003 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.797474339970518e-18 "source-value" -36.184989 } }