{ "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" [ 5.46441 0 0 ] "si-unit" "m" "si-value" [ 5.46441e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.239301 5.60761 0 ] "si-unit" "m" "si-value" [ 2.39301e-11 5.60761e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.167861 -0.733416 5.71653 ] "si-unit" "m" "si-value" [ 1.67861e-11 -7.33416e-11 5.71653e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00327702 -0.0382766 0.433443 ] [ 1.09616 1.45225 1.46895 ] [ 0.130178 2.57242 2.88603 ] [ 1.56489 3.87283 4.50025 ] [ 2.74098 -0.214768 2.33093 ] [ 4.21449 1.24218 3.87733 ] [ 2.20243 2.94328 0.228142 ] [ 4.00805 4.02926 1.38377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.27702e-13 -3.82766e-12 4.33443e-11 ] [ 1.09616e-10 1.45225e-10 1.46895e-10 ] [ 1.30178e-11 2.57242e-10 2.88603e-10 ] [ 1.56489e-10 3.87283e-10 4.500250000000001e-10 ] [ 2.74098e-10 -2.14768e-11 2.33093e-10 ] [ 4.21449e-10 1.24218e-10 3.87733e-10 ] [ 2.20243e-10 2.94328e-10 2.28142e-11 ] [ 4.00805e-10 4.02926e-10 1.38377e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7643964 -1.0129218 -1.8003966 ] [ 3.3655375 -1.9726953 -0.9328051 ] [ -1.7210648 4.2559246 1.8136008 ] [ 0.1909589 -0.30424270000000003 -2.4704447 ] [ -4.7121364 6.0355077 6.4730324 ] [ -2.2696071 -2.4287494 2.4254254 ] [ 2.8031814 0.7211962 -2.201886 ] [ 5.1075268 -5.2940193 -3.3065263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.429051282703685e-09 -1.622879626658653e-09 -2.884553340687809e-09 ] [ 5.39218549892568e-09 -3.160606289622043e-09 -1.494518522983006e-09 ] [ -2.757449785441828e-09 6.818742894007592e-09 2.905708801224177e-09 ] [ 3.059498851136851e-10 -4.874505409890683e-10 -3.95808874131927e-09 ] [ -7.549674774100678e-09 9.66994933159838e-09 1.037094117696092e-08 ] [ -3.636311434021688e-09 -3.891285506462028e-09 3.885959871374488e-09 ] [ 4.491191702941413e-09 1.155483690649801e-09 -3.527810270866829e-09 ] [ 8.183160029069437e-09 -8.481953952523982e-09 -5.297639133920327e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.7751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.770496910198208e-18 } }