{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.12728610000000004 -1.0259121000000002 0.5610569000000001 ] [ -0.8070291000000003 0.4971383000000001 1.0418787000000003 ] [ 0.030363200000000007 0.25988100000000003 -0.8939637000000002 ] [ -0.4258075000000001 1.7014903000000003 -1.5739822000000006 ] [ -0.31019350000000007 -0.16211050000000002 0.4127982000000001 ] [ -1.8954157000000005 0.08219090000000001 -0.25188630000000006 ] [ 0.7686808000000003 -1.9429073000000003 -1.0191685000000001 ] [ 2.5121156000000004 0.5902294000000001 1.7232668000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.039348152529874e-10 -1.643692395157872e-09 8.989122555244747e-10 ] [ -1.29300316697805e-09 7.965033681264822e-10 1.669273708602296e-09 ] [ 4.864720957346881e-11 4.16375265820554e-10 -1.432287751784186e-09 ] [ -6.822188270819552e-10 2.726088001637651e-09 -2.521797503171916e-09 ] [ -4.969847777186791e-10 -2.59729655226057e-10 6.613756305972589e-10 ] [ -3.036790746256754e-09 1.316843395074306e-10 -4.035663442847143e-10 ] [ 1.231562416764427e-09 -3.112880678088029e-09 -1.632887956808829e-09 ] [ 4.02485291622689e-09 9.456517533798398e-10 2.760977801107952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.107229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.785015862228718e-18 } }