{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] "source-value" [ 5.42333 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] "source-value" [ 0.0707092 5.40512 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] "source-value" [ -0.00203562 -0.0726392 5.50089 ] } "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" [ [ -1.159786816617946e-09 9.33816466890962e-10 3.130728419344378e-10 ] [ 6.725197248519591e-10 2.088773682303168e-11 -1.764363197729301e-09 ] [ -2.279128286620416e-11 9.943027999853759e-11 -8.878705275009563e-10 ] [ 1.726653888129166e-09 -5.562041054468103e-10 9.897250609444262e-10 ] [ -1.50538047938372e-09 -1.909929114829747e-10 -1.7605918341816e-10 ] [ 4.53426077399111e-10 -1.018538765510555e-09 3.005158627777488e-09 ] [ -2.338360756291392e-10 1.261513496367076e-09 1.180013495367235e-09 ] [ 6.91948038991104e-11 -5.499121976392665e-10 -2.65967711737517e-09 ] ] "source-value" [ [ -0.723882 0.5828424 0.1954047 ] [ 0.4197538 0.0130371 -1.1012289 ] [ -0.0142252 0.0620595 -0.5541652 ] [ 1.0776926 -0.3471553 0.6177378 ] [ -0.9395846 -0.1192084 -0.1098875 ] [ 0.2830063 -0.6357219 1.8756725 ] [ -0.145949 0.7873748 0.7365065 ] [ 0.043188 -0.3432282 -1.6600399 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.880021683827375e-18 "source-value" -36.700209 } }