{ "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" [ [ -4.815630225606145e-11 -2.258277560077325e-10 1.870536398254138e-10 ] [ -1.396433110039968e-10 -4.692823387621823e-11 2.710137830264928e-10 ] [ -3.634425511921344e-11 1.7241423160584e-10 -4.162685574271795e-10 ] [ -1.035741496105747e-10 2.715913676982912e-10 -4.495987978873441e-10 ] [ -3.322225375592256e-11 -3.129499549876223e-11 3.906696202506854e-10 ] [ -2.92904001761159e-10 1.747059850442323e-10 -1.112123664325766e-10 ] [ 1.984646621540755e-10 -4.935743804690899e-10 -1.687917102662112e-10 ] [ 4.553794511351904e-10 1.789137815034393e-10 2.971343889107194e-10 ] ] "source-value" [ [ -0.03005680000000001 -0.14095060000000004 0.11674970000000003 ] [ -0.08715850000000001 -0.029290300000000005 0.16915350000000004 ] [ -0.022684300000000004 0.10761250000000003 -0.25981440000000006 ] [ -0.06464590000000002 0.16951400000000003 -0.2806175000000001 ] [ -0.020735700000000003 -0.019532800000000003 0.24383680000000005 ] [ -0.18281630000000001 0.10904290000000003 -0.06941330000000001 ] [ 0.12387190000000002 -0.30806490000000003 -0.10535150000000003 ] [ 0.2842255000000001 0.11166920000000002 0.18545670000000003 ] ] } "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" 4.589899241066309e-18 "source-value" 28.647898 } }