{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4844497 9.3349931 9.1413477 ] [ -18.5161695 -14.9874048 7.813245 ] [ -6.3280855 -12.1054222 -10.2198972 ] [ 14.0794682 -1.7567523 4.2951619 ] [ 0.7967626 1.6289188 -1.4535597 ] [ 2.4952425 1.6248619 1.1316173 ] [ 14.6228354 14.6600469 -8.6082131 ] [ 0.334396 1.6007586 -2.099702 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.199141042768831e-08 1.495630782337122e-08 1.464605368820964e-08 ] [ -2.966617412408346e-08 -2.401246977485944e-08 1.251819857471733e-08 ] [ -1.013871072605421e-08 -1.939502459354487e-08 -1.637408049572202e-08 ] [ 2.255779496918604e-08 -2.814627486785758e-09 6.881608035427045e-09 ] [ 1.276554420565088e-09 2.609815640043319e-09 -2.32885938746405e-09 ] [ 3.997819229663745e-09 2.603315769656844e-09 1.813050796690168e-09 ] [ 2.342836520070804e-08 2.348798459652413e-08 -1.379187788931271e-08 ] [ 5.35761457703064e-10 2.564698025594552e-09 -3.364093482763068e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.408876 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.070950742340338e-18 } }