{ "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" [ 5.37157 0 0 ] "si-unit" "m" "si-value" [ 5.37157e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00742946 5.44743 0 ] "si-unit" "m" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0324182 0.1292 5.41398 ] "si-unit" "m" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.015222 1.8845001 1.1924942 ] [ -3.785397 -2.2987516 0.1971936 ] [ 0.5018466 -0.4052197 -0.4234076 ] [ 1.6295776 -1.0036673 0.4809794 ] [ 3.8338421 -0.8963029 -0.3600438 ] [ -1.8829526 -0.5624697 -1.1098058 ] [ 0.087699 2.2303355 -2.8480879 ] [ -2.3998377 1.0515756 2.8706779 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.228741574121818e-09 3.019302002115262e-09 1.9105863276796e-09 ] [ -6.064874573846458e-09 -3.683006070546593e-09 3.159389756913868e-10 ] [ 8.040468897479693e-10 -6.492335296275898e-10 -6.783737577890381e-10 ] [ 2.610871132499374e-09 -1.60805228312146e-09 7.706139497664115e-10 ] [ 6.142492180458776e-09 -1.43603555153524e-09 -5.768537588239911e-10 ] [ -3.016822633794574e-09 -9.011758032483896e-10 -1.778104906388241e-09 ] [ 1.405092874675392e-10 3.573391394640278e-09 -4.563139847363368e-09 ] [ -3.844963856654445e-09 1.684809841323733e-09 4.59933301722724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.825774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.739921752486451e-18 } }