{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52208e-10 0.0 0.0 ] "source-value" [ 5.52208 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] "source-value" [ -0.0968577 5.45697 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] "source-value" [ 0.137264 0.147448 5.57607 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.056374746775232e-10 8.721671137875091e-10 -2.278689770879303e-09 ] [ 9.58121486228498e-10 -1.59998980993027e-09 -6.567626382217152e-10 ] [ -1.893603575934444e-09 2.112872501509607e-09 4.846268649125702e-10 ] [ -2.776857912155551e-09 3.214830034741073e-09 -1.287209044793804e-09 ] [ -8.224965944071295e-10 -7.315163541243533e-10 -5.157614825315905e-10 ] [ 3.866996829326023e-09 -2.504249322520714e-09 3.021187603780282e-10 ] [ -1.502423502212371e-10 -9.970673557445664e-10 1.654267708619084e-09 ] [ 1.223719271406038e-09 -3.670468077182861e-10 2.297409762734392e-09 ] ] "source-value" [ [ -0.253179 0.5443639 -1.4222463 ] [ 0.5980124 -0.9986351 -0.409919 ] [ -1.1818944 1.3187513 0.3024803 ] [ -1.7331784 2.0065391 -0.8034127 ] [ -0.513362 -0.4565766 -0.321913 ] [ 2.4135896 -1.5630295 0.1885677 ] [ -0.0937739 -0.6223205 1.0325127 ] [ 0.7637855 -0.2290926 1.4339304 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.836290272962639e-18 "source-value" -36.427259 } }