{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4920276 0.1729419 -2.9720376 ] [ 0.6941765 0.6835563 -5.0106798 ] [ 1.5945753 8.1449644 -4.25905 ] [ 1.7974777 0.6660454 2.0721394 ] [ 2.5552963 -2.407704 5.3493052 ] [ -9.4220556 -1.0098002 11.8566579 ] [ -0.1735374 -2.8923012 -8.6216321 ] [ -0.5379605 -3.3577027 1.5852971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.594845026003098e-09 2.770834712195646e-10 -4.761729198089438e-09 ] [ 1.112193368171901e-09 1.095177931883494e-09 -8.027994096015793e-09 ] [ 2.55479128681354e-09 1.304967164644183e-08 -6.8237503930377e-09 ] [ 2.879876771076062e-09 1.067122377063184e-09 3.31993332907078e-09 ] [ 4.094036024806654e-09 -3.857567090388336e-09 8.570531799574696e-09 ] [ -1.509579732656885e-08 -1.617878285448526e-09 1.899646024471151e-08 ] [ -2.780375674051116e-10 -4.63397740113016e-09 -1.381337749756435e-08 ] [ -8.619077431149569e-10 -5.379632809858711e-09 2.539925971567961e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.242469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.044289401626934e-18 } }