{ "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" [ [ 2.0711842 5.6575457 -3.4621406 ] [ 3.1264376 -1.2165562 -1.1652141 ] [ 18.1442923 14.5917152 -10.5267961 ] [ 0.2927849 -1.110726 -2.9890193 ] [ -1.7416224 -1.0533157 -5.1096829 ] [ -11.9292009 -14.9547956 8.4896928 ] [ -5.2476442 2.3176876 8.0629316 ] [ -4.7162315 -4.2315549 6.7002286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.318402902610351e-09 9.064387451647571e-09 -5.546960727242485e-09 ] [ 5.009105229110062e-09 -1.949137901529289e-09 -1.866878789246513e-09 ] [ 2.907036092402146e-08 2.337850495081199e-08 -1.686578660334862e-08 ] [ 4.690931217032659e-10 -1.779579229314701e-09 -4.788936841579981e-09 ] [ -2.790386691541586e-09 -1.687597788861587e-09 -8.186614482081544e-09 ] [ -1.911268678680632e-08 -2.396022387916271e-08 1.360198732193409e-08 ] [ -8.40765285151672e-09 3.713344887038063e-09 1.291824050462954e-08 ] [ -7.556235847580516e-09 -6.779698330411682e-09 1.073494961693552e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0691628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.453040060838907e-18 } }