{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9688613 0.1064597 -0.6627949999999999 ] [ -0.3043191 -0.9201731 0.31722969999999995 ] [ 0.2835075 0.2765557 1.6648843999999998 ] [ -2.7267138 -2.3560754 2.7728878999999997 ] [ 1.4388158 2.9237674 -1.0440351999999997 ] [ -1.4036571 0.9306814 -1.9054348999999997 ] [ -0.7359167 -0.7518255 -2.5115434999999997 ] [ -0.5205778 -0.2093903 1.3688066999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.358816838446863e-09 1.705672438026498e-10 -1.06191466213203e-09 ] [ -4.875729512999094e-10 -1.474279840055345e-09 5.082580129508296e-10 ] [ 4.54229092063755e-10 4.430910805395137e-10 2.667438883991109e-09 ] [ -4.368677137965349e-09 -3.774848953822204e-09 4.442656202081327e-09 ] [ 2.305237055390017e-09 4.684391811530931e-09 -1.672728802513516e-09 ] [ -2.248906607768201e-09 1.491115992778407e-09 -3.052843274388126e-09 ] [ -1.179068541310388e-09 -1.204557248945367e-09 -4.023936310974578e-09 ] [ -8.34057587339125e-10 -3.354802460462502e-10 2.193070111202647e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.613743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.705950688388106e-18 } }