{ "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" [ [ 5.0276163 -0.1371166 5.2350333 ] [ -0.9181619 -1.9692299 -1.4458756 ] [ 3.9322125 3.6068709 1.5928424 ] [ -6.883296 4.4304755 -11.1837497 ] [ 0.2777286 -0.4957296 -0.2474935 ] [ -6.9005032 2.9321275 -1.144755 ] [ 10.2659116 -7.61062 6.7222196 ] [ -4.8015078 -0.7567777 0.4717786 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.055129360577533e-09 -2.196850126535244e-10 8.387448031471911e-09 ] [ -1.471057542409044e-09 -3.155054132754156e-09 -2.31654810199073e-09 ] [ 6.300098987422724e-09 5.77884427783455e-09 2.552014874924482e-09 ] [ -1.102825601610566e-08 7.098404323609466e-09 -1.791834244984451e-08 ] [ 4.449702735135323e-10 -7.942463819021663e-10 -3.96528302766879e-10 ] [ -1.105582498988223e-08 4.697786168408834e-09 -1.83409971265467e-09 ] [ 1.644780369222956e-08 -1.219355753425308e-08 1.077018317173682e-08 ] [ -7.692863605128746e-09 -1.212491548072262e-09 7.558726493412323e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.235982 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.485209040244459e-18 } }