{ "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" [ [ -0.3277979 3.9126838 -2.1269966 ] [ 2.1847651 -1.2521864 -0.1567949 ] [ 33.7064993 32.8951166 -12.6007674 ] [ -2.2267032 -1.76881 -3.9925272 ] [ -1.2720058 -1.0283911 -4.9417512 ] [ -29.3971021 -32.0568779 12.3772664 ] [ -0.647858 1.6847274 6.5827675 ] [ -2.0197974 -2.3862623 4.8588034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.251901317273363e-10 6.268810508942903e-09 -3.407824225041089e-09 ] [ 3.500379565159774e-09 -2.006223774963717e-09 -2.512131230406739e-10 ] [ 5.400376514747156e-08 5.270378675500999e-08 -2.01886549324188e-08 ] [ -3.567571808500547e-09 -2.833946028637248e-09 -6.396733737748086e-09 ] [ -2.037977954282001e-09 -1.647664177458795e-09 -7.917558238450344e-09 ] [ -4.709934970389059e-08 -5.136078030722021e-08 1.983056685549338e-08 ] [ -1.037982941198246e-09 2.69923085270117e-09 1.054675618866206e-08 ] [ -3.236072173032626e-09 -3.823213668156436e-09 7.784661212543552e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.887559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.186338207458063e-18 } }