{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2119405 0.15792 1.3100475 ] [ -0.1010912 -0.5022435 -0.1779214 ] [ 1.1441501 1.1773811 0.5200691 ] [ -1.5176478 0.5592993 -2.9421762 ] [ 0.1977788 -0.1291015 -0.2781996 ] [ -2.1188997 0.9108578 -0.290646 ] [ 2.7781261 -1.8331432 1.4520402 ] [ -1.5943568 -0.3409699 0.4067865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.941742734900662e-09 2.53015731956736e-10 2.098927476637488e-09 ] [ -1.61965957208617e-10 -8.046827936487647e-10 -2.850615074200052e-10 ] [ 1.833130540905982e-09 1.886372472191787e-09 8.332425532204972e-10 ] [ -2.431539823768554e-09 8.960962624898055e-10 -4.713885921914185e-09 ] [ 3.168765694498791e-10 -2.068434050102112e-10 -4.457248950359117e-10 ] [ -3.394851561160134e-09 1.459355072033322e-09 -4.656662261290369e-10 ] [ 4.451048687054283e-09 -2.937019177618499e-09 2.326424860901756e-09 ] [ -2.554441190173501e-09 -5.462940021765139e-10 6.517438199570592e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.190155038775917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.754166451105409e-18 } }