{ "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" [ [ 0.1473647 0.1018955 0.1977613 ] [ 0.2974151 -0.2489357 0.0828739 ] [ 0.1466746 0.245936 0.0574917 ] [ -0.2470541 0.0485181 -0.9246921 ] [ -0.1049431 -0.1658516 -0.2076037 ] [ -0.6159783 0.5060319 0.1652537 ] [ 0.5458998 -0.45078 0.3813996 ] [ -0.1693787 -0.0368141 0.2475156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.361042770712057e-10 1.632545878647264e-10 3.168485313590151e-10 ] [ 4.765115198928941e-10 -3.988389586224826e-10 1.327786250545171e-10 ] [ 2.349986149851917e-10 3.940329094130687e-10 9.211185763004735e-11 ] [ -3.958243030927853e-10 7.773456550563649e-11 -1.481520064058456e-09 ] [ -1.681373813342765e-10 -2.657235560422733e-10 -3.32617794531577e-10 ] [ -9.869060311801286e-10 8.107524795590035e-10 2.64765614640697e-10 ] [ 8.74627896859396e-10 -7.222291771242241e-10 6.110695223024717e-10 ] [ -2.713745932014969e-10 -5.898269033579329e-11 3.965637076032845e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 157.06573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.516470405348852e-17 } }