{ "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" [ [ 2.1379998 4.9624392 -2.7863233 ] [ 2.6174643 -0.3081887 -1.2311388 ] [ 14.6693629 14.6871519 -7.1279785 ] [ -1.5673713 -0.9040639 -1.5681173 ] [ -1.9519724 -2.2574276 -4.4712174 ] [ -10.270589 -14.5210534 6.9100214 ] [ -2.3841484 1.9289663 5.6238181 ] [ -3.2507459 -3.5878239 4.6509357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.425453294835075e-09 7.950704068381456e-09 -4.464182049250304e-09 ] [ 4.193640107238637e-09 -4.93772729934745e-10 -1.972501802319767e-09 ] [ 2.350291028041089e-08 2.35314114003183e-08 -1.142028050626505e-08 ] [ -2.511205652972903e-09 -1.448470044289269e-09 -2.512400876732019e-09 ] [ -3.127404543726866e-09 -3.616797723868655e-09 -7.163679984794161e-09 ] [ -1.645529757764565e-08 -2.326529226686835e-08 1.107107473630768e-08 ] [ -3.819826826997727e-09 3.090544708171079e-09 9.010349879451877e-09 ] [ -5.208269081141455e-09 -5.748327572127477e-09 7.451620443384082e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.677775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.793597753756272e-18 } }