{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8183796 0.6527251 -1.1296332 ] [ 0.4066396 -1.054221 2.6373567 ] [ -0.6360623 0.8023504 -1.8013147 ] [ 1.8653827 -0.0539699 -0.914761 ] [ -0.1147879 0.706882 0.6612499 ] [ -2.1852418 -1.2066806 1.6648213 ] [ 0.3760022 -0.5247095 -3.9289003 ] [ 2.1064472 0.6776235 2.8111813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.913365306862266e-09 1.045780903645313e-09 -1.809871918030649e-09 ] [ 6.515084655791064e-10 -1.689048253272114e-09 4.225511280263347e-09 ] [ -1.019084154828298e-09 1.285507063160554e-09 -2.88602432282072e-09 ] [ 2.988672575407832e-09 -8.64693127193166e-11 -1.465608699894474e-09 ] [ -1.839104912459286e-10 1.132549823395188e-09 1.059439139014836e-09 ] [ -3.501143351600101e-09 -1.933315462021101e-09 2.667337786645504e-09 ] [ 6.024219391725948e-10 -8.40677300537823e-10 -6.29479225797559e-09 ] [ 3.374900484594724e-09 1.085672538349299e-09 4.504008992797744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.019617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.770978872302917e-18 } }