{ "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" [ [ -7.887232 11.5589222 9.3411997 ] [ -20.9175989 -11.5425094 12.0136177 ] [ -4.4477819 -16.8035306 -9.5529411 ] [ 12.6631209 -3.692928 6.8530022 ] [ 2.9309736 1.0790179 -3.9637311 ] [ 4.5525375 2.5856232 -0.2887531 ] [ 12.5974035 15.7625575 -12.5844484 ] [ 0.5085772 1.0528471 -1.8179459 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.263673871322563e-08 1.85194349104861e-08 1.496625176956398e-08 ] [ -3.35136879208518e-08 -1.849313870604424e-08 1.924793741016907e-08 ] [ -7.126132174597404e-09 -2.692222387421739e-08 -1.530549889029943e-08 ] [ 2.028855625234385e-08 -5.916722903897703e-09 1.097971990713097e-08 ] [ 4.695937378102011e-09 1.728777252804712e-09 -6.350597299557867e-09 ] [ 7.293969147815279e-09 4.142625041238083e-09 -4.626334660035245e-10 ] [ 2.018326537048409e-08 2.52544011105157e-08 -2.016250901214397e-08 ] [ 8.148304997119257e-10 1.68684700889708e-09 -2.912670418859215e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.940465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.675467669328067e-18 } }