{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] "source-value" [ 5.54387 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] "source-value" [ 0.0557634 5.4256 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] "source-value" [ -0.136783 0.0146252 5.57946 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.889645558810419e-10 -1.407113860264869e-09 5.516238029232673e-10 ] [ -1.161503709084795e-09 8.530241473045287e-10 1.549522207681043e-09 ] [ -5.80404502651008e-12 2.468649759094848e-10 -1.367187618874533e-09 ] [ -3.700516899705965e-10 2.41159705071647e-09 -1.903794700984028e-09 ] [ -5.347153921733165e-10 -3.977994664309075e-10 4.402358379330509e-10 ] [ -2.623985428793608e-09 3.072827358445286e-10 -1.148344071192192e-11 ] [ 1.188259097346183e-09 -2.685699029179555e-09 -1.704049899709933e-09 ] [ 3.318836611821602e-09 6.718434461003193e-10 2.445133811743056e-09 ] ] "source-value" [ [ 0.11794240000000003 -0.8782514000000002 0.34429650000000006 ] [ -0.7249536000000001 0.5324158000000001 0.9671357000000003 ] [ -0.003622600000000001 0.15408100000000002 -0.8533314000000002 ] [ -0.23096810000000007 1.5052005000000004 -1.1882552000000002 ] [ -0.33374310000000007 -0.24828690000000006 0.27477360000000006 ] [ -1.6377629000000005 0.19179080000000007 -0.007167400000000002 ] [ 0.7416530000000001 -1.6762815000000004 -1.0635843000000003 ] [ 2.0714549000000004 0.4193317000000001 1.5261325000000003 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.261115294970644e-18 "source-value" -26.59579 } }