{ "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" [ [ -5.8476117 7.2086026 6.0891732 ] [ -14.2360227 -6.2312442 9.6801589 ] [ -2.3713461 -12.2121669 -8.0634628 ] [ 10.8634898 -3.0817276 5.3016724 ] [ 1.6500305 1.1241374 -2.8093484 ] [ 2.0371764 1.3866729 0.9551991 ] [ 7.7074614 10.3009718 -9.6094874 ] [ 0.1968224 1.5047539 -1.5439049 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.368906830445017e-09 1.154945464951165e-08 9.755931021419007e-09 ] [ -2.280862293103359e-08 -9.983553857988023e-09 1.550932440298714e-08 ] [ -3.799315312547026e-09 -1.956604845768821e-08 -1.291909168728821e-08 ] [ 1.740522952125733e-08 -4.937471953072897e-09 8.494215640402701e-09 ] [ 2.643640312487336e-09 1.801066675685511e-09 -4.501072363245286e-09 ] [ 3.263916427416237e-09 2.221694919381019e-09 1.530397678837829e-09 ] [ 1.234871456253693e-08 1.650397632545292e-08 -1.539609617699741e-08 ] [ 3.153442503278016e-10 2.410881538500373e-09 -2.473608355898106e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.022049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.008974224260306e-18 } }