{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2094453 0.3512534 -0.4828439 ] [ 1.5250339 3.0427687 0.1570509 ] [ 2.0395009 -1.0969645 0.2549091 ] [ -0.5682311 -0.1828622 -2.7098897 ] [ 0.0676091 -0.8294065 -1.0312343 ] [ 1.8321456 -0.0969461 -1.2674367 ] [ -1.5730194 -1.7942888 3.5393581 ] [ -1.1135937 0.6064458 1.5400865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.539921604596442e-09 5.627699854565107e-10 -7.736012080758931e-10 ] [ 2.443373660507445e-09 4.875052873642009e-09 2.516232802555987e-10 ] [ 3.267640660080559e-09 -1.757530875747561e-09 4.084094004491693e-10 ] [ -9.10406583631467e-10 -2.929775416680538e-10 -4.341721922286726e-09 ] [ 1.083217193733293e-10 -1.328855703439555e-09 -1.652219486027053e-09 ] [ 2.935420846221589e-09 -1.553247748977389e-10 -2.030657449083903e-09 ] [ -2.520254906744844e-09 -2.874767566323287e-09 5.670676800459108e-09 ] [ -1.784173791210169e-09 9.716332825423527e-10 2.467490584309699e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.897278 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.751377956195819e-18 } }