{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.3286526 -2.276081 40.119476 ] [ -33.5255985 53.0786865 -52.9140017 ] [ -7.4349573 5.3731267 15.5147446 ] [ -153.1597052 107.1215534 -171.2153672 ] [ 34.9704477 -61.2737731 52.5930017 ] [ -29.7644196 23.0219713 -28.1787517 ] [ 155.8595314 -149.7574624 124.0420647 ] [ 22.7260489 24.7119787 20.0388338 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.654832585642335e-08 -3.646683795291353e-09 6.427848701552377e-08 ] [ -5.371393055756544e-08 8.504143127371123e-08 -8.477757713517626e-08 ] [ -1.191211486084773e-08 8.608698050261526e-09 2.485736128059767e-08 ] [ -2.453889009417683e-07 1.716276498552633e-07 -2.7431726070957e-07 ] [ 5.602883418545903e-08 -9.817140753783774e-08 8.426327843566227e-08 ] [ -4.768785760769162e-08 3.68852644854786e-08 -4.514733754902777e-08 ] [ 2.497144993952693e-07 -2.399379070244135e-07 1.987372976954562e-07 ] [ 3.64111445307214e-08 3.959295485304569e-08 3.210575128696942e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 35.516034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.690295980714955e-18 } }