{ "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" [ 5.29616 0 0 ] "si-unit" "m" "si-value" [ 5.29616e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.242438 5.47618 0 ] "si-unit" "m" "si-value" [ -2.42438e-11 5.47618e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.11809 -0.0034447 5.45685 ] "si-unit" "m" "si-value" [ 1.1809e-11 -3.4447e-13 5.456850000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0183909 -0.0832388 -0.0590634 ] [ 1.37993 1.35458 1.33752 ] [ -0.123201 2.75975 2.68859 ] [ 1.45379 4.06883 4.12913 ] [ 2.80695 0.0674874 2.75473 ] [ 4.11558 1.36445 4.01895 ] [ 2.83757 2.84317 -0.0421665 ] [ 3.94058 4.22423 1.31424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.83909e-12 -8.32388e-12 -5.90634e-12 ] [ 1.37993e-10 1.35458e-10 1.33752e-10 ] [ -1.23201e-11 2.75975e-10 2.68859e-10 ] [ 1.45379e-10 4.06883e-10 4.12913e-10 ] [ 2.80695e-10 6.748740000000001e-12 2.75473e-10 ] [ 4.11558e-10 1.36445e-10 4.01895e-10 ] [ 2.83757e-10 2.84317e-10 -4.21665e-12 ] [ 3.94058e-10 4.224230000000001e-10 1.31424e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 21.4767706 23.0884224 -24.9856482 ] [ -0.7508069 1.9255152 -1.540895 ] [ 14.1116528 13.4006828 -11.9722785 ] [ -8.2371193 -1.6809667 0.2012195 ] [ -1.0191943 -5.2375827 -11.5699659 ] [ -2.2602132 -7.9167674 20.2746458 ] [ -6.6077 -10.3892386 -3.2304733 ] [ -16.7133898 -13.190065 32.8233956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.440957974560479e-08 3.699173058043503e-08 -4.00314214015736e-08 ] [ -1.202925261915324e-09 3.085015436435036e-09 -2.468785944107616e-09 ] [ 2.260936019700686e-08 2.147026068491668e-08 -1.918170471040649e-08 ] [ -1.319731996520046e-08 -2.693205547083327e-09 3.223891785490656e-10 ] [ -1.632929279512622e-09 -8.391532551446541e-09 -1.853712886843323e-08 ] [ -3.621260747063555e-09 -1.26840596405916e-08 3.248356349576091e-08 ] [ -1.058670245726016e-08 -1.664539519283292e-08 -5.175788795378625e-09 ] [ -2.677780239187719e-08 -2.113281376983235e-08 5.258887704558958e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -30.005081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.807343928341029e-18 } }