{ "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" [ [ -7.2091373 8.0256215 6.7119418 ] [ -14.3838611 -7.3681552 10.0116089 ] [ -4.1225336 -13.9865624 -9.2263455 ] [ 12.5398361 -3.4698943 6.1416774 ] [ 0.8400817 2.1170355 -2.9585916 ] [ 3.3672768 1.8535304 0.5087738 ] [ 7.9783316 10.8495277 -9.9655163 ] [ 0.9900059 1.9788967 -1.2235485 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.155031133335785e-08 1.285846324062803e-08 1.07537163207279e-08 ] [ -2.304548616112154e-08 -1.18050860971256e-08 1.604036584832644e-08 ] [ -6.605027006799902e-09 -2.240894346726296e-08 -1.478223517731105e-08 ] [ 2.009103239360969e-08 -5.559383569909785e-09 9.840052023845871e-09 ] [ 1.345959270390998e-09 3.391864811448507e-09 -4.740186331068674e-09 ] [ 5.39497220917029e-09 2.969683097288673e-09 8.151454943513892e-10 ] [ 1.278269646782383e-08 1.738285977087576e-08 -1.596651736160614e-08 ] [ 1.58616432050214e-09 3.170542053839707e-09 -1.960340817265748e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.376061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.745257872915867e-18 } }