{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "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" [ [ 2.814702765897806e-08 1.845627935114144e-08 -7.401456453604497e-09 ] [ -5.277449145015654e-09 2.002794155689233e-09 1.431430735709399e-08 ] [ 3.372497207880188e-08 2.241356011479084e-08 -3.506825153748784e-08 ] [ -4.908467773114816e-08 3.741815581611444e-08 -2.940397286914625e-08 ] [ 2.221810418011296e-10 4.664466463610284e-10 -3.141450345508433e-09 ] [ -2.354145224120085e-08 -2.190397181877919e-08 1.719143605110335e-08 ] [ 3.878869855305059e-08 -3.500318089642834e-08 2.960157572049599e-08 ] [ -2.297930037548465e-08 -2.385008352910711e-08 1.390781207705369e-08 ] ] "source-value" [ [ 17.567993 11.5195036 -4.6196258 ] [ -3.2939247 1.2500458 8.934288 ] [ 21.0494721 13.989444 -21.8878812 ] [ -30.6362464 23.3545761 -18.3525165 ] [ 0.1386745 0.2911331 -1.9607391 ] [ -14.6934189 -13.671384 10.7300505 ] [ 24.2100016 -21.8472673 18.4758505 ] [ -14.3425513 -14.8860514 8.6805736 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.651352067604552e-18 "source-value" -10.306929 } }