{ "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" [ [ -3.7395496 -4.2537554 -3.6754042 ] [ -1.8220224 -1.5980365 11.5694329 ] [ 1.2944728 -0.8517018 2.2379697 ] [ -18.5791018 -26.5877733 17.5547583 ] [ 14.7751128 21.8027603 -21.1916828 ] [ 1.7886665 3.9250498 2.0866315 ] [ 6.7823653 6.8944538 -7.1990843 ] [ -0.4999437 0.6690032 -1.3826212 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.991418990804045e-09 -6.815267508631323e-09 -5.888646729745462e-09 ] [ -2.919201715904601e-09 -2.560336740579141e-09 1.853627506101086e-08 ] [ 2.073974073508555e-09 -1.364576723095741e-09 3.585622760939989e-09 ] [ -2.976700278466734e-08 -4.259830913134907e-08 2.812582356377756e-08 ] [ 2.367234049287431e-08 3.493187310936283e-08 -3.395281901729969e-08 ] [ 2.865759672318561e-09 6.288623076846372e-09 3.343152233068371e-09 ] [ 1.08665472069124e-08 1.104613278255251e-08 -1.153420465165624e-08 ] [ -8.009981144555057e-10 1.071861295111229e-09 -2.215203380313041e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.237774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.242448862697272e-18 } }