{ "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" [ [ -2.6087384 1.7248818 3.4319687 ] [ -0.4158025 -0.7428532 3.3470818 ] [ 1.7848249 -7.1731399 -1.6583374 ] [ 1.1997929 -3.7925337 0.4179392 ] [ -0.8837615 4.2747113 -2.0171051 ] [ 3.9547332 3.3537876 -1.8356372 ] [ -1.7426243 -1.334515 0.2569276 ] [ -1.2884243 3.6896611 -1.9428376 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.179659674263199e-09 2.763565293603422e-09 5.49862001445737e-09 ] [ -6.66189044370192e-10 -1.190182029726467e-09 5.362616207865182e-09 ] [ 2.859604727001698e-09 -1.149263704550765e-08 -2.656949411678258e-09 ] [ 1.922280134181832e-09 -6.076308827736121e-09 6.696124151558554e-10 ] [ -1.415942013663139e-09 6.848842505529575e-09 -3.231758632916446e-09 ] [ 6.336181074541571e-09 5.373360083848942e-09 -2.941015006110774e-09 ] [ -2.791991912297965e-09 -2.138128733106912e-09 4.116433939582541e-10 ] [ -2.064283291130605e-09 5.911488753095211e-09 -3.112768980731182e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -215.66856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.455391246736021e-17 } }