{ "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" [ [ -3.8466263 -7.2678605 -2.2408169 ] [ 3.1455847 0.5609898 6.7580884 ] [ 0.4173043 -3.1025267 -0.9293963 ] [ 11.131552 14.8748093 -11.6928097 ] [ -14.8832734 -17.7505702 7.5893614 ] [ 3.5520483 7.1326038 2.9366221 ] [ 3.699266 5.50292 -1.002637 ] [ -3.2158556 0.0496346 -1.4184121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.162974726814408e-09 -1.16443961763358e-08 -3.590184448673531e-09 ] [ 5.039782265086182e-09 8.988047420672679e-10 1.082765123577968e-08 ] [ 6.685951932193095e-10 -4.970795744147775e-09 -1.489057023318023e-09 ] [ 1.783471236761948e-08 2.383207169931842e-08 -1.873394633280346e-08 ] [ -2.384563268245453e-08 -2.843954858030918e-08 1.215949740188196e-08 ] [ 5.691008742212385e-09 1.142769105378924e-08 4.704987272744601e-09 ] [ 5.926877499320333e-09 8.816649770132735e-09 -1.606401560549049e-09 ] [ -5.152368658188756e-09 7.952339570275967e-11 -2.272546705279832e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -213.00911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.412782160594155e-17 } }