{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4244276 -4.0685735 -4.3131617 ] [ -2.9574708 5.2682443 9.7535572 ] [ -1.3062922 -10.7111307 -12.2315872 ] [ -1.4578727 0.8421564 14.8629591 ] [ 8.8222486 -3.3054844 -9.620091 ] [ 1.664828 2.0658504 2.1156023 ] [ -0.4078022 4.0420073 -4.3763927 ] [ -5.7820662 5.8669301 3.8091139 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.282184617544698e-09 -6.518573395411599e-09 -6.910446894403718e-09 ] [ -4.738390611497286e-09 8.440657919663686e-09 1.562692144422246e-08 ] [ -2.092910840016454e-09 -1.716112333126006e-08 -1.959716320857348e-08 ] [ -2.335769575286492e-09 1.349283306253558e-09 2.381308578211767e-08 ] [ 1.413480056625921e-08 -5.295969869731509e-09 -1.541308501715369e-08 ] [ 2.667348521228952e-09 3.309857240219553e-09 3.389568571896658e-09 ] [ -6.533711561337947e-10 6.476009650517427e-09 -7.011754125148171e-09 ] [ -9.263891361881171e-09 9.399858319531284e-09 6.102873286824611e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.685207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.314135532485323e-18 } }