{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40534e-10 0.0 0.0 ] "source-value" [ 5.40534 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] "source-value" [ 0.0241155 5.39517 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] "source-value" [ -0.0520891 0.00914509 5.32386 ] } "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" [ [ 3.157878423707468e-09 3.559203319574784e-11 3.833529282329457e-09 ] [ -6.703555046725825e-10 -1.04610805949531e-09 -5.068769325162681e-10 ] [ 2.863356704212287e-09 2.70554711359335e-09 9.199198277527911e-10 ] [ -3.486435982246614e-09 1.925315137354614e-09 -6.909444355558349e-09 ] [ 1.577789890454803e-10 -4.552408628574912e-11 -6.405377160181977e-10 ] [ -4.383233036790358e-09 1.630491728001736e-09 -1.293392645461782e-09 ] [ 6.148246718227702e-09 -4.393599439962258e-09 3.802762844897896e-09 ] [ -3.787236471701047e-09 -8.11714426402132e-10 7.940398547921146e-10 ] ] "source-value" [ [ 1.9709927 0.0222148 2.3927008 ] [ -0.418403 -0.6529293 -0.3163677 ] [ 1.7871667 1.6886697 0.5741688 ] [ -2.1760622 1.2016872 -4.312536 ] [ 0.0984779 -0.0284139 -0.3997922 ] [ -2.7357989 1.0176729 -0.8072722 ] [ 3.8374338 -2.7422691 2.3734979 ] [ -2.3638071 -0.5066323 0.4956007 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.730596603900407e-18 "source-value" -35.767571 } }