{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2344156 0.398202 -0.9908719 ] [ 1.2101339 -1.2895163 -0.9300115 ] [ -1.658065 1.5089449 0.9123572 ] [ -2.5287155 3.1076063 -2.1076083 ] [ -0.8576609 -0.616876 -0.2366454 ] [ 2.9632262 -1.7084389 -0.6261357 ] [ 0.1975372 -1.3664008 2.5171829 ] [ 0.9079596 -0.0335211 1.4617327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.755751969650903e-10 6.37989940012068e-10 -1.587551805467184e-09 ] [ 1.938848258591292e-09 -2.066032885022134e-09 -1.490042694651291e-09 ] [ -2.65651300065321e-09 2.417596260773466e-09 1.461757387701665e-09 ] [ -4.051448888133627e-09 4.978934201531194e-09 -3.376760771884462e-09 ] [ -1.37412425387541e-09 -9.883443132753839e-10 -3.791477304235836e-10 ] [ 4.74761177889661e-09 -2.737220886196662e-09 -1.003179988253234e-09 ] [ 3.164894861857848e-10 -2.189215434438907e-09 4.032971625884358e-09 ] [ 1.454711655735986e-09 -5.370672316597739e-11 2.341953977093731e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.139288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.790152280299659e-18 } }