{ "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" [ [ -3.4357267 3.9479814 1.943326 ] [ -5.4157234 -1.2354512 4.5529449 ] [ -0.9561773 -7.4242979 -2.5898874 ] [ 3.2018996 -1.2048788 3.0017271 ] [ 0.5455398 0.171838 -2.3354536 ] [ 3.1490762 1.887836 0.5227032 ] [ 2.0265734 2.2947541 -4.1951363 ] [ 0.8845384 1.5622185 -0.9002238 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.504641039549927e-09 6.325363550546607e-09 3.113551509444684e-09 ] [ -8.676945487687034e-09 -1.979411045087261e-09 7.294621934669466e-09 ] [ -1.531964928021208e-09 -1.189503661923527e-08 -4.149457076971011e-09 ] [ 5.130008723533946e-09 -1.930428660161959e-09 4.809297021264582e-09 ] [ 8.740511204770331e-10 2.75314828433292e-10 -3.741809187711182e-09 ] [ 5.04537630632551e-09 3.024646728024024e-09 8.374628535570288e-10 ] [ 3.246928548565936e-09 3.676601399795699e-09 -6.721349356305213e-09 ] [ 1.417186756355745e-09 2.502949977902529e-09 -1.442317537730689e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.912085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.472009039322189e-18 } }