{ "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" [ [ -8.2468663 11.6506919 6.7286499 ] [ -12.6415263 -11.3056822 10.4917518 ] [ -9.5087216 -12.4067206 -10.2314351 ] [ 11.8385998 -3.7661329 5.9260061 ] [ 4.9382704 3.7441679 -9.2307177 ] [ 2.4577455 3.0710097 1.8165012 ] [ 13.6538553 10.0617805 -5.7843789 ] [ -2.4913568 -1.0491142 0.2836227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.32129363807234e-08 1.866646617832393e-08 1.078048555932826e-08 ] [ -2.025395788908833e-08 -1.811369970303471e-08 1.680963944519632e-08 ] [ -1.523465144121597e-08 -1.987775768611775e-08 -1.639256611445251e-08 ] [ 1.896752782256756e-08 -6.034010083205704e-09 9.494508428138188e-09 ] [ 7.911981382068666e-09 5.998818273729832e-09 -1.478924009214475e-08 ] [ 3.937742379976407e-09 4.920299943590022e-09 2.910355754295145e-09 ] [ 2.187588774544617e-08 1.612074948072134e-08 -9.267596639428822e-09 ] [ -3.991593619031102e-09 -1.680866243789296e-09 4.544136590681722e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.11106229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.779414044905096e-20 } }