{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0395262 0.8820763 -2.6680618 ] [ 2.215338 0.6819306 1.9637144 ] [ 1.4682899 2.4375786 0.2455313 ] [ -0.9774802 -1.4528098 -0.0070354 ] [ -0.2197688 2.2393042 -0.38885 ] [ -1.2860128 -1.7925809 0.850097 ] [ -0.0021966 -2.0074818 -0.1581652 ] [ 0.8413567 -0.9880172 0.1627698 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.267681222070811e-09 1.413242037265174e-09 -4.274706274027981e-09 ] [ 3.549362780012292e-09 1.0925732733296e-09 3.146217327529329e-09 ] [ 2.352459769718196e-09 3.905431476458433e-09 3.933845117756441e-10 ] [ -1.566095936637647e-09 -2.327657915206213e-09 -1.12719534908436e-11 ] [ -3.521084362422192e-10 3.587760865658062e-09 -6.230063841308999e-10 ] [ -2.060419659184915e-09 -2.87203123253469e-09 1.362005550033498e-09 ] [ -3.519341194244399e-12 -3.216340433140261e-09 -2.534085877519368e-10 ] [ 1.348002045599348e-09 -1.582978071830105e-09 2.607859702808532e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -326.33751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.228503333197413e-17 } }