{ "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" [ [ 0.08042740000000001 -1.0619218000000001 0.4969013000000001 ] [ -0.7244692000000001 0.3959069000000001 1.0350291000000003 ] [ 0.003102900000000001 0.20668480000000006 -1.0632369000000002 ] [ -0.4409411000000001 1.6898749000000004 -1.4636074000000001 ] [ -0.29621920000000007 -0.25143490000000007 0.5185208000000001 ] [ -1.7357940000000005 0.34833030000000004 -0.09049990000000001 ] [ 0.8208509000000003 -2.1005129000000005 -1.0789338000000002 ] [ 2.2930423000000006 0.7730727000000002 1.6458269000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.288588999517299e-10 -1.701386281077854e-09 7.961236457051272e-10 ] [ -1.16072761472968e-09 6.343127791934038e-10 1.658299425867666e-09 ] [ 4.971393836680322e-12 3.311455544347239e-10 -1.703493303551868e-09 ] [ -7.064655215698351e-10 2.707478056856739e-09 -2.344957558309874e-09 ] [ -4.745954768720795e-10 -4.028431184331861e-10 8.307619031585129e-10 ] [ -2.781048565324916e-09 5.580866629762503e-10 -1.449968239647379e-10 ] [ 1.315148121142639e-09 -3.365392660068809e-09 -1.728642509750903e-09 ] [ 3.673858763565461e-09 1.238599006118732e-09 2.63690538106374e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.920935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.755168225427645e-18 } }