{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8233936 -3.5988066 -2.968072 ] [ -0.4503332 -1.3035279 8.4846372 ] [ 0.7448992 -0.5150995 1.735798 ] [ -8.8424933 -14.0842734 8.0055491 ] [ 5.7841169 10.1373797 -10.8098339 ] [ 2.0848878 3.1856761 1.4335553 ] [ 4.8292783 6.566797 -4.3285126 ] [ -1.326962 -0.3881456 -1.553121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.523575217236347e-09 -5.765923797300737e-09 -4.755375567251098e-09 ] [ -7.215133246100506e-10 -2.08848192594052e-09 1.359388735780997e-08 ] [ 1.193460083092623e-09 -8.252803762857696e-10 2.781054974031398e-09 ] [ -1.416723603484064e-08 -2.256549356243533e-08 1.282630360468648e-08 ] [ 9.267176869154172e-09 1.624187275151252e-08 -1.731926314931128e-08 ] [ 3.340358490151147e-09 5.104015768861322e-09 2.29680878628393e-09 ] [ 7.73735678759677e-09 1.052116862693958e-08 -6.935041690558221e-09 ] [ -2.12602749309001e-09 -6.218778057863885e-10 -2.488374155473517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1574070387759186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.146743022307614e-18 } }