{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3277998 3.9126819 -2.1269955 ] [ 2.1847652 -1.2521866 -0.1567953 ] [ 33.7064992 32.8951168 -12.6007671 ] [ -2.2267032 -1.7688101 -3.9925274 ] [ -1.2720051 -1.0283903 -4.941751 ] [ -29.3971025 -32.0568792 12.3772659 ] [ -0.6478582 1.6847277 6.5827679 ] [ -2.0197956 -2.3862601 4.8588024 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.251931801898731e-10 6.268807516454724e-09 -3.407822490723147e-09 ] [ 3.500379754216337e-09 -2.006224111927904e-09 -2.512137659810202e-10 ] [ 5.400376543217969e-08 5.270378750966084e-08 -2.018865461809594e-08 ] [ -3.567571837893029e-09 -2.833946212203203e-09 -6.396734110884772e-09 ] [ -2.037976849548833e-09 -1.64766290929225e-09 -7.917557983246133e-09 ] [ -4.709935073280298e-08 -5.136078281320061e-08 1.983056621778498e-08 ] [ -1.037983270185299e-09 2.699231355592562e-09 1.054675691642525e-08 ] [ -3.23606931577601e-09 -3.823210174866503e-09 7.784659674503121e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.887559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.18633823370964e-18 } }