{ "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" [ 5.18551 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -1.390464 -3.177394 -1.127095 ] [ 3.793527 -0.811307 0.317594 ] [ 3.719947 -2.548142 4.002877 ] [ -15.396775 12.157285 -7.515954 ] [ -3.085352 -3.611477 -3.933777 ] [ 8.376819 -6.072425 -4.059965 ] [ 8.117332 -1.748553 17.076391 ] [ -4.135035 5.812012 -4.760071 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -24.097591 } }