{ "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" [ [ -8.857048653626207e-10 8.124046440903725e-10 3.260390810871439e-09 ] [ -2.906876467545416e-09 -1.259990146836019e-09 9.906982230239002e-10 ] [ -2.046652458942336e-11 -5.586209888792871e-10 -1.234423573627265e-09 ] [ 2.171056827235256e-09 3.214677667744435e-10 -1.675764592993344e-10 ] [ -3.347803804908004e-09 -1.238063879127385e-09 -7.130038441416576e-11 ] [ 2.85335175208604e-09 -3.628731376211021e-10 2.591587975562073e-10 ] [ -1.005447700777323e-09 9.670912720400467e-10 -2.568057929056019e-09 ] [ 3.141890623643829e-09 1.318584469558931e-09 -4.688894850547623e-10 ] ] "source-value" [ [ -0.5528135000000001 0.5070631000000001 2.0349759000000005 ] [ -1.8143296000000004 -0.7864240000000002 0.6183452000000002 ] [ -0.012774200000000003 -0.3486638000000001 -0.7704666000000002 ] [ 1.3550671000000003 0.20064440000000006 -0.10459300000000003 ] [ -2.0895348000000005 -0.7727387000000002 -0.044502200000000006 ] [ 1.7809221000000004 -0.22648760000000007 0.16175420000000001 ] [ -0.6275511000000001 0.6036109000000001 -1.6028557000000005 ] [ 1.9610139000000004 0.8229957000000002 -0.2926578000000001 ] ] } "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" -5.801959953855772e-18 "source-value" -36.212986 } }