{ "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" [ [ 0.3740851 0.2603723 0.4020675 ] [ 0.6900639 -0.5967514 0.233729 ] [ 0.324802 0.4373702 0.0634005 ] [ -0.5717603 0.0944943 -2.1392385 ] [ -0.130468 -0.3778354 -0.4433014 ] [ -1.5107887 1.1723954 0.3250481 ] [ 1.188407 -0.8986176 0.9779694 ] [ -0.3643411 -0.0914278 0.5803253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.993504014096301e-10 4.171624117639238e-10 6.44183148483504e-10 ] [ 1.105604247438069e-09 -9.56101141509669e-10 3.744751394029632e-10 ] [ 5.203901707890816e-10 7.007443090746202e-10 1.015787988470304e-10 ] [ -9.160609853615943e-10 1.513965582588615e-10 -3.427437911015261e-09 ] [ -2.090327793625344e-10 -6.053590443906163e-10 -7.102471390479091e-10 ] [ -2.420550334108825e-09 1.878384500213464e-09 5.207844664554606e-10 ] [ 1.904037911395066e-09 -1.439744109759406e-09 1.566879708537803e-09 ] [ -5.837387924165549e-10 -1.464834836511782e-10 9.297836281187463e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 159.68777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.558480117216876e-17 } }