{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2957244 0.9857516 -0.2112899 ] [ -1.2485268 0.2836591 -0.6370353 ] [ 3.0981681 2.7273085 -1.9833717 ] [ -1.1618346 -1.0903632 0.0152732 ] [ -0.445998 0.537266 -0.2952185 ] [ -2.6458138 -1.934528 3.1895279 ] [ 0.1279672 -0.6780063 0.2920149 ] [ 0.9803136 -0.8310875 -0.3699007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.075979340680108e-09 1.579348167436193e-09 -3.385237379911699e-10 ] [ -2.000360449402238e-09 4.544719782971693e-10 -1.020643064284314e-09 ] [ 4.963812497128357e-09 4.369629916409117e-09 -3.177711768096351e-09 ] [ -1.86146423335652e-09 -1.746954427220675e-09 2.447036396480256e-11 ] [ -7.145675685235584e-10 8.607950243507328e-10 -4.729921787276449e-10 ] [ -4.239061013350007e-09 -3.099455533882982e-09 5.11018703276932e-09 ] [ 2.050260560692378e-10 -1.086285842615111e-09 4.678594457052499e-10 ] [ 1.570635530972283e-09 -1.33154896233912e-09 -5.926462535575546e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.708973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.721208169337844e-18 } }