{ "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" [ [ 0.14580800000000002 -1.3573764000000001 0.5928949000000001 ] [ -0.9958678000000002 0.6729108000000001 1.3578203000000002 ] [ -0.020460300000000004 0.3295119000000001 -1.4769585000000003 ] [ -0.36566480000000007 2.1631659000000005 -1.7764877000000003 ] [ -0.4709406000000001 -0.3812584000000001 0.6756358000000001 ] [ -2.3797383000000005 0.4639005000000001 0.025245800000000006 ] [ 1.1013304000000002 -2.6126855000000004 -1.5174006000000004 ] [ 2.9855334000000004 0.7218313000000001 2.1192499000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.336101687256064e-10 -2.174756733705669e-09 9.49922347371554e-10 ] [ -1.595556106567531e-09 1.078121951643825e-09 2.175467939907643e-09 ] [ -3.278101431455425e-11 5.279362624553877e-10 -2.366348378591837e-09 ] [ -5.85859593609508e-10 3.465773831891792e-09 -2.846247060078765e-09 ] [ -7.545300191055247e-10 -6.108432949636148e-10 1.082487882935505e-09 ] [ -3.812761067882338e-09 7.432505354774306e-10 4.044823053339265e-11 ] [ 1.764525818656313e-09 -4.185983625603159e-09 -2.431143765707893e-09 ] [ 4.783351814097536e-09 1.156501233021671e-09 3.395412643412738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.94803 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.759509322981703e-18 } }