{ "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" [ [ -5.6275766 -7.8639211 -8.801681 ] [ -5.7037891 -7.7421482 24.0785872 ] [ 3.8247482 -2.2953752 3.4776391 ] [ -46.1126787 -61.3761569 42.0905296 ] [ 38.0042008 57.681349 -50.5546464 ] [ 2.2174187 4.9023491 5.7737282 ] [ 17.2946791 15.3522172 -12.9526563 ] [ -3.8970026 1.3416861 -3.1115004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.016371734565165e-09 -1.259939063803958e-08 -1.410184763812175e-08 ] [ -9.138477621283889e-09 -1.240428894300516e-08 3.857814979157149e-08 ] [ 6.127922196973559e-09 -3.677596511703077e-09 5.571792107504789e-09 ] [ -7.388065634428948e-08 -9.833544446989785e-08 6.743646303780536e-08 ] [ 6.088944251560411e-08 9.241570958539925e-08 -8.09974732022122e-08 ] [ 3.552696428934655e-09 7.85442917973093e-09 9.250532413106878e-09 ] [ 2.770913074654814e-08 2.45969636779329e-08 -2.075244327209289e-08 ] [ -6.243686508357248e-09 2.149618119582587e-09 -4.985173237561653e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.597935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.96888065565079e-19 } }