{ "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" [ [ -4.746203 -4.259039 -3.1213775 ] [ 1.9837976 1.474308 12.8764516 ] [ 1.6148447 -1.1343321 2.0244943 ] [ -21.8597994 -28.3417923 20.5902715 ] [ 16.0865868 21.2504387 -26.6929216 ] [ 2.3566007 4.2337699 3.1715365 ] [ 5.9757162 10.8838206 -4.1873948 ] [ -1.4115436 -4.1071737 -4.66106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.604255546820703e-09 -6.823732769094725e-09 -5.000998096393334e-09 ] [ 3.178394161305278e-09 2.362101828919272e-09 2.063034988235191e-08 ] [ 2.587266445878739e-09 -1.817400385816151e-09 3.243597463126186e-09 ] [ -3.502325982260721e-08 -4.540855738874112e-08 3.298925188501612e-08 ] [ 2.577355349177283e-08 3.404695634738933e-08 -4.276677528071388e-08 ] [ 3.775690577208043e-09 6.783247207512517e-09 5.081361674178141e-09 ] [ 9.57415286705527e-09 1.743780305396786e-08 -6.708946105893102e-09 ] [ -2.261542173792242e-09 -6.580417733919324e-09 -7.46784142167204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.391291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.626174344129449e-18 } }