{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0048097 0.881401 0.5703952 ] [ -0.7844839 -0.330762 0.2883923 ] [ 0.1787969 -0.009198399999999999 -0.2356792 ] [ 0.7271376 -0.767903 -0.1895343 ] [ -0.8847549 -0.4194418 -0.2821236 ] [ 0.6539567 0.3420289 0.5675789 ] [ 0.4982604 0.1829646 -0.4703382 ] [ 0.6158968 0.1209108 -0.2486912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.609882609693062e-09 1.412160075749741e-09 9.138738540565402e-10 ] [ -1.256881763974005e-09 -5.299391434490496e-10 4.620554006787398e-10 ] [ 2.864642130515155e-10 -1.473746142876672e-11 -3.775997042488474e-10 ] [ 1.165002862824622e-09 -1.230316233642182e-09 -3.036674242996934e-10 ] [ -1.417533615918242e-09 -6.720198457462695e-10 -4.520118360959308e-10 ] [ 1.047754135755519e-09 5.479907072179411e-10 9.093616440393811e-10 ] [ 7.983011639504562e-10 2.931416045540237e-10 -7.535648679091545e-10 ] [ 9.867754537855335e-10 1.937204569622246e-10 -3.98447226438697e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.769539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.769605939779381e-18 } }