{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6053377 0.5007333 -0.3662857 ] [ -0.5710131 0.26402 1.1480873 ] [ 0.2596908 0.3735188 0.537891 ] [ -0.1387098 -0.5728208 -1.0494666 ] [ -1.1625789 0.0919238 -0.1161458 ] [ 1.8672287 -0.9529995 -1.0199797 ] [ 0.2506301 1.4161496 1.1644046 ] [ 1.10009 -1.1205254 -0.2985052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.572034531428844e-09 8.022631865160327e-10 -5.868543850733626e-10 ] [ -9.148638389905326e-10 4.23006671423616e-10 1.839438630697396e-09 ] [ 4.160705283968487e-10 5.984430887892711e-10 8.617963847387328e-10 ] [ -2.222375986358439e-10 -9.177600936679526e-10 -1.681430850830465e-09 ] [ -1.862656733415381e-09 1.47278163255095e-10 -1.860860853641126e-10 ] [ 2.991630168826777e-09 -1.52687351853409e-09 -1.634187629030598e-09 ] [ 4.015536866887661e-10 2.268921780675272e-09 1.865581827271975e-09 ] [ 1.762538478775872e-09 -1.795279598892568e-09 -4.782580526272282e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 623.21549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.985012877984163e-17 } }