{ "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" [ [ 5.492783605463118e-09 -9.941025279077761e-11 -2.501166414266971e-09 ] [ -1.576462006471484e-09 -1.13732510148264e-09 7.635105234786664e-09 ] [ 5.494875247041573e-09 4.644354020054058e-09 -5.901002507112075e-09 ] [ -5.863629173949322e-09 2.148899205222578e-09 -3.828921742803361e-09 ] [ 7.517258895838004e-10 6.332846624558362e-10 -2.197226619941741e-09 ] [ -4.84112373956099e-09 -2.303392931107108e-09 -3.147815633005209e-09 ] [ 2.706620732146948e-09 1.328297344887206e-10 2.391337847781779e-09 ] [ -2.164790714471307e-09 -4.01923949705833e-09 7.549689994778576e-09 ] ] "source-value" [ [ 3.4283259 -0.062047 -1.5611053 ] [ -0.9839502 -0.7098625 4.7654579 ] [ 3.4296314 2.8987778 -3.6831161 ] [ -3.6597895 1.3412374 -2.389825 ] [ 0.4691904 0.3952652 -1.371401 ] [ -3.0215918 -1.4376648 -1.964712 ] [ 1.6893398 0.0829058 1.4925557 ] [ -1.3511561 -2.508612 4.7121459 ] ] } "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" -4.344302868605173e-18 "source-value" -27.115006 } }