{ "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" [ [ 0.20948380000000005 -1.2145216000000003 0.4619066000000001 ] [ -0.9363790000000002 0.6370207000000001 1.3314957000000003 ] [ 0.043708500000000004 0.15706750000000003 -1.0546787000000002 ] [ -0.5260632000000001 2.0481869000000006 -1.6760894000000004 ] [ -0.36032330000000007 -0.29091550000000005 0.28996810000000006 ] [ -2.0881700000000003 0.22361690000000006 -0.14945220000000004 ] [ 0.8805024000000002 -2.4252624000000003 -1.3891949000000001 ] [ 2.7772409000000002 0.8648075000000002 2.1860448000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.356300495615293e-10 -1.945878129008295e-09 7.400559616103845e-10 ] [ -1.500244554368286e-09 1.020619680914324e-09 2.133291298811474e-09 ] [ 7.002873740718899e-11 2.51649878460795e-10 -1.689781569517496e-09 ] [ -8.428461670472687e-10 3.281557193244896e-09 -2.68539127317508e-09 ] [ -5.773015719457722e-10 -4.66098016568427e-10 4.645801144253755e-10 ] [ -3.34561718181978e-09 3.582737721475147e-10 -2.394488227398948e-10 ] [ 1.410720371460922e-09 -3.885698748598762e-09 -2.225735608851966e-09 ] [ 4.449630476969131e-09 1.385574369407955e-09 3.502429899437204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.967276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762592919582898e-18 } }