{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] "source-value" [ 5.59774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] "source-value" [ -0.20689 5.51351 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] "source-value" [ 0.513105 0.215809 5.94806 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.082403787699527e-09 6.383179003100794e-09 2.85620026190016e-09 ] [ -5.99188100917943e-10 -1.502950618320614e-10 -1.217692139306848e-08 ] [ 1.867147794701146e-09 5.466193561828998e-09 -3.321811533371104e-09 ] [ 0.0 0.0 0.0 ] [ 1.042711348928616e-08 -9.078388873136742e-09 -3.429623920796681e-09 ] [ -5.725310863010727e-09 -2.811140806834443e-09 6.297821441451053e-09 ] [ 3.533752103082728e-09 5.414410412356431e-09 1.103469379134386e-08 ] [ -1.758591821084089e-08 -5.223958395700639e-09 -1.260358487241141e-09 ] ] "source-value" [ [ 5.0446397 3.984067 1.7827 ] [ -0.3739838 -0.0938068 -7.6002366 ] [ 1.165382 3.4117297 -2.0733117 ] [ 0.0 0.0 0.0 ] [ 6.5080924 -5.6662847 -2.1406029 ] [ -3.573458 -1.7545761 3.930791 ] [ 2.2055946 3.3794092 6.8873142 ] [ -10.9762669 -3.2605384 -0.7866539 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.140623322105498e-18 "source-value" -13.36072 } }